| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
ethylene dichloride
ethylene dichloride: RN given refers to 1,2-isomer; structure given in first source. 1,2-dichloroethane : A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2. | 4.61 | 8 | 0 | chloroethanes | hepatotoxic agent;
mutagen;
non-polar solvent |
1,2,4-trichlorobenzene
1,2,4-trichlorobenzene : A trichlorobenzene with chloro substituents at positions 1, 2 and 4. | 3.07 | 1 | 0 | trichlorobenzene | |
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H). | 3.47 | 2 | 0 | ketone body;
methyl ketone;
propanones;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent |
ammonium hydroxide
azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2. | 2.02 | 1 | 0 | azane;
gas molecular entity;
mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant |
benzene
[no description available] | 3.07 | 1 | 0 | aromatic annulene;
benzenes;
volatile organic compound | carcinogenic agent;
environmental contaminant;
non-polar solvent |
benzyl alcohol
Benzyl Alcohol: A colorless liquid with a sharp burning taste and slight odor. It is used as a local anesthetic and to reduce pain associated with LIDOCAINE injection. Also, it is used in the manufacture of other benzyl compounds, as a pharmaceutic aid, and in perfumery and flavoring.. hydroxytoluene : Any member of the class of toluenes carrying one or more hydroxy substituents.. benzyl alcohol : An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent.. aromatic alcohol : Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring.. aromatic primary alcohol : Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring. | 3.07 | 1 | 0 | benzyl alcohols | antioxidant;
fragrance;
metabolite;
solvent |
1-butanol
1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. | 3.07 | 1 | 0 | alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol | human metabolite;
mouse metabolite;
protic solvent |
carbamates
[no description available] | 1.97 | 1 | 0 | amino-acid anion | |
carbon monoxide
Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas. | 1.98 | 1 | 0 | carbon oxide;
gas molecular entity;
one-carbon compound | biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent |
chloroacetic acid
chloroacetic acid: urinary metabolite of vinyl chloride; RN given refers to parent cpd; structure. chloroacetic acid : A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent. | 2 | 1 | 0 | chlorocarboxylic acid;
haloacetic acid | alkylating agent;
herbicide |
chlorine
chloride : A halide anion formed when chlorine picks up an electron to form an an anion. | 2.35 | 2 | 0 | halide anion;
monoatomic chlorine | cofactor;
Escherichia coli metabolite;
human metabolite |
2-cresol
2-cresol: RN given refers to parent cpd. o-cresol : A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. | 3.07 | 1 | 0 | cresol | human xenobiotic metabolite |
3-cresol
3-cresol: RN given refers to parent cpd. m-cresol : A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene. | 3.07 | 1 | 0 | cresol | human xenobiotic metabolite |
3-chlorobenzoic acid
[no description available] | 2 | 1 | 0 | monochlorobenzoic acid | drug metabolite |
hydrogen
Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond. | 2 | 1 | 0 | elemental hydrogen;
elemental molecule;
gas molecular entity | antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite |
methanol
Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. | 3.07 | 1 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
naphthalene
[no description available] | 3.07 | 1 | 0 | naphthalenes;
ortho-fused bicyclic arene | apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component |
1-octanol
1-Octanol: A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). octan-1-ol : An octanol carrying the hydroxy group at position 1. | 3.07 | 1 | 0 | octanol;
primary alcohol | antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite |
4-nitrophenol
4-nitrophenol: RN given refers to parent cpd. mononitrophenol : A nitrophenol that is phenol carrying a single nitro substituent at unspecified position.. 4-nitrophenol : A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. | 3.07 | 1 | 0 | 4-nitrophenols | human xenobiotic metabolite;
mouse metabolite |
phenanthrene
phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.' | 3.07 | 1 | 0 | ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes | environmental contaminant;
mouse metabolite |
phenol
[no description available] | 3.07 | 1 | 0 | phenols | antiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite |
1-propanol
1-Propanol: A colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate.. propan-1-ol : The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group. | 3.07 | 1 | 0 | propan-1-ols;
short-chain primary fatty alcohol | metabolite;
protic solvent |
pyridine
azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'. | 3.07 | 1 | 0 | azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines | environmental contaminant;
NMR chemical shift reference compound |
toluene
methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 3.47 | 2 | 0 | methylbenzene;
toluenes;
volatile organic compound | cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent |
methylene bromide
methylene bromide: RN given refers to parent cpd. dibromomethane : A member of the class of bromomethanes that is methane substituted by two bromo groups. It is produced by marine algae. | 1.97 | 1 | 0 | bromohydrocarbon;
bromomethanes | algal metabolite;
marine metabolite |
ether
Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups. | 3.07 | 1 | 0 | ether;
volatile organic compound | inhalation anaesthetic;
non-polar solvent;
refrigerant |
2-propanol
2-Propanol: An isomer of 1-PROPANOL. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.. propan-2-ol : A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group. | 3.07 | 1 | 0 | secondary alcohol;
secondary fatty alcohol | protic solvent |
bromoform
bromoform: structure | 1.98 | 1 | 0 | bromohydrocarbon;
bromomethanes | |
carbon tetrachloride
Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups. | 3.48 | 2 | 0 | chlorocarbon;
chloromethanes | hepatotoxic agent;
refrigerant |
alanine
Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. | 1.96 | 1 | 0 | alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite |
2,3,4,6-tetrachlorophenol
2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6. | 2 | 1 | 0 | tetrachlorophenol | xenobiotic metabolite |
aniline
[no description available] | 3.07 | 1 | 0 | anilines;
primary arylamine | |
chloroform
Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines. | 3.48 | 2 | 0 | chloromethanes;
one-carbon compound | carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant |
hexachloroethane
[no description available] | 1.98 | 1 | 0 | chlorocarbon;
chloroethanes | carcinogenic agent;
refrigerant |
dimethylformamide
Dimethylformamide: A formamide in which the amino hydrogens are replaced by methyl groups.. N,N-dimethylformamide : A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups. | 3.07 | 1 | 0 | formamides;
volatile organic compound | geroprotector;
hepatotoxic agent;
polar aprotic solvent |
ampicillin
Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.. ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group. | 2.02 | 1 | 0 | beta-lactam antibiotic;
penicillin allergen;
penicillin | antibacterial drug |
n-pentanol
n-pentanol: RN given refers to parent cpd. pentan-1-ol : A short-chain primary fatty alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia. | 3.07 | 1 | 0 | pentanol;
short-chain primary fatty alcohol | human metabolite;
plant metabolite |
1,1,1-trichloroethane
Trichloroethanes: Chlorinated ethanes which are used extensively as industrial solvents. They have been utilized in numerous home-use products including spot remover preparations and inhalant decongestant sprays. These compounds cause central nervous system and cardiovascular depression and are hepatotoxic. Include 1,1,1- and 1,1,2-isomers.. 1,1,1-trichloroethane : A member of the class of chloroethanes carrying three chloro substituents at position 1. | 4.49 | 7 | 0 | chloroethanes | polar solvent |
methyl bromide
methyl bromide: used in ionization chambers, degreasing wool, extracting oils; insect fumigant; high concentrations can produce pulmonary edema,narcosis; chronic exposure can cause CNS depression,kidney injury; RN given refers to parent cpd; structure. bromomethane : A one-carbon compound in which the carbon is attached by single bonds to three hydrogen atoms and one bromine atom. It is produced naturally by marine algae. | 3.07 | 1 | 0 | bromohydrocarbon;
bromomethanes;
methyl halides | algal metabolite;
fumigant insecticide;
marine metabolite |
ethane
Ethane: A two carbon alkane with the formula H3C-CH3.. ethane : An alkane comprising of two carbon atoms. | 2.15 | 1 | 0 | alkane;
gas molecular entity | plant metabolite;
refrigerant |
bromoethane
bromoethane : A bromoalkane that is ethane carrying a bromo substituent. It is an alkylating agent used as a chemical intermediate in various organic syntheses. | 1.98 | 1 | 0 | bromoalkane;
bromohydrocarbon;
volatile organic compound | alkylating agent;
carcinogenic agent;
local anaesthetic;
refrigerant;
solvent |
bromochloromethane
bromochloromethane: inhibitor of ruminal methane production. bromochloromethane : A halomethane that is chloromethane in which one of the hydrogens has been replaced by a bromine atom. | 1.98 | 1 | 0 | halomethane | |
propane
Propane: A three carbon alkane with the formula H3CCH2CH3. | 8.04 | 92 | 0 | alkane;
gas molecular entity | food propellant |
ethyl chloride
Ethyl Chloride: A gas that condenses under slight pressure. Because of its low boiling point ethyl chloride sprayed on skin produces an intense cold by evaporation. Cold blocks nerve conduction. Ethyl chloride has been used in surgery but is primarily used to relieve local pain in sports medicine.. chloroethane : The simplest and least toxic member of the class of chloroethanes, that is ethane in which a single hydrogen is substituted by a chlorine. A colourless gas at room temperature and pressure (boiling point 12degreeC), it is used as a mild topical anaesthetic to numb the skin prior to ear piercing, skin biopsies, etc., and is also used in the treatment of sports injuries. It was formerly used in the production of tetraethyllead. | 3.53 | 2 | 0 | chloroethanes | antipruritic drug;
inhalation anaesthetic;
local anaesthetic |
vinyl chloride
Vinyl Chloride: A gas that has been used as an aerosol propellant and is the starting material for polyvinyl resins. Toxicity studies have shown various adverse effects, particularly the occurrence of liver neoplasms.. chloroethene : A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group. | 2 | 1 | 0 | chloroethenes;
gas molecular entity;
monohaloethene | carcinogenic agent |
acetonitrile
acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. | 3.07 | 1 | 0 | aliphatic nitrile;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent |
methylene chloride
Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea. | 5.3 | 16 | 0 | chloromethanes;
volatile organic compound | carcinogenic agent;
polar aprotic solvent;
refrigerant |
2-bromopropane
2-bromopropane: used as a substitute for freon | 2.01 | 1 | 0 | | |
bromodichloromethane
bromodichloromethane: RN given refers to parent cpd. bromodichloromethane : A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water. | 1.98 | 1 | 0 | halomethane | environmental contaminant;
reagent |
1,1-dichloroethane
[no description available] | 3.48 | 2 | 0 | organochlorine compound | |
vinylidene chloride
vinylidene chloride: potent hepatotoxin. 1,1-dichloroethene : A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines. | 1.98 | 1 | 0 | chloroethenes | carcinogenic agent;
mouse metabolite;
mutagen |
nitromethane
nitromethane: structure. nitromethane : A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models. | 3.07 | 1 | 0 | primary nitroalkane;
volatile organic compound | EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
explosive;
NMR chemical shift reference compound;
polar aprotic solvent |
bromotrichloromethane
Bromotrichloromethane: A potent liver poison. In rats, bromotrichloromethane produces about three times the degree of liver microsomal lipid peroxidation as does carbon tetrachloride. | 1.98 | 1 | 0 | | |
tert-butyl alcohol
tert-Butyl Alcohol: An isomer of butanol that contains a tertiary butyl group that consists of three methyl groups, each separately attached to a central (tertiary) carbon.. tert-butanol : A tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2. | 3.07 | 1 | 0 | tertiary alcohol | human xenobiotic metabolite |
trichlorofluoromethane
trichlorofluoromethane: refrigerant, aerosol propellant; RN given refers to parent cpd; structure. trichlorofluoromethane : A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom. | 1.98 | 1 | 0 | chlorofluorocarbon;
halomethane | environmental contaminant;
NMR chemical shift reference compound;
NMR solvent;
refrigerant |
tert-amyl alcohol
2-methylbutan-2-ol : A tertiary alcohol that is propan-1-ol in which both of the hydrogens at position 1 have been replaced by methyl groups. | 3.07 | 1 | 0 | aliphatic alcohol;
tertiary alcohol | protic solvent |
pentachloroethane
[no description available] | 1.98 | 1 | 0 | chloroethanes | non-polar solvent |
isoprene
isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. | 2.6 | 1 | 0 | alkadiene;
hemiterpene;
volatile organic compound | plant metabolite |
isobutyl alcohol
isobutyl alcohol: RN given refers to parent cpd | 3.07 | 1 | 0 | alkyl alcohol;
primary alcohol | Saccharomyces cerevisiae metabolite |
2,3-dichloro-1-propene
2,3-dichloro-1-propene: soil fumigant | 1.98 | 1 | 0 | | |
2-butanol
2-butanol: RN given is for parent cpd without isomeric designation. butan-2-ol : A secondary alcohol that is butane substituted by a hydroxy group at position 2. | 3.07 | 1 | 0 | secondary alcohol | |
methylethyl ketone
methylethyl ketone: solvent; colorless synthetic resins, smokeless powders; may be irritating to eyes, mucous membranes; may be toxic in high concentrations; structure. butanone : Any ketone that is butane substituted by an oxo group at unspecified position.. butan-2-one : A dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2. | 3.47 | 2 | 0 | butanone;
dialkyl ketone;
methyl ketone;
volatile organic compound | bacterial metabolite;
polar aprotic solvent |
1,1,2-trichloroethane
1,1,2-trichloroethane: RN given refers to cpd with locants as specified. 1,1,2-trichloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1 and 2. | 4.2 | 5 | 0 | chloroethanes | |
trichloroethylene
Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups. | 3.99 | 4 | 0 | chloroethenes | inhalation anaesthetic;
mouse metabolite |
1,1,2,2-tetrachloroethane
1,1,2,2-tetrachloroethane: see also record for tetrachloroethane. 1,1,2,2-tetrachloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1, 2 and 2. | 3.8 | 3 | 0 | chloroethanes | |
1,2,3-trichlorobenzene
trichlorobenzene: commercial grade of trichlorobenzene containing 70% 1,2,4-trichlorobenzene & 30% 1,2,3-trichlorobenzene; see also record for 1,2,4-trichlorobenzene. trichlorobenzene : Any member of the class of chlorobenzenes carrying three chloro substituents at unspecified positions.. 1,2,3-trichlorobenzene : A trichlorobenzene carrying chloro substituents at positions 1, 2 and 3. | 3.07 | 1 | 0 | trichlorobenzene | |
2-nitrotoluene
nitrotoluene : Any member of the class of toluenes bearing one or more nitro substituents on the benzene ring. | 3.07 | 1 | 0 | mononitrotoluene | carcinogenic agent;
environmental contaminant |
thymol
Thymol: A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.. thymol : A phenol that is a natural monoterpene derivative of cymene. | 3.07 | 1 | 0 | monoterpenoid;
phenols | volatile oil component |
quinoline
[no description available] | 3.07 | 1 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines | |
2-xylene
2-xylene: RN given refers to parent cpd. o-xylene : A xylene substituted by methyl groups at positions 1 and 2. | 3.07 | 1 | 0 | xylene | |
2-dichlorobenzene
2-dichlorobenzene: structure. 1,2-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 2. | 3.07 | 1 | 0 | dichlorobenzene | hepatotoxic agent;
metabolite |
2-chlorophenol
chlorophenol : A halophenol that is any phenol containing one or more covalently bonded chlorine atoms. | 2 | 1 | 0 | 2-halophenol;
monochlorophenol | |
1,2,4,5-tetrachlorobenzene
1,2,4,5-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2, 4 and 5. | 3.07 | 1 | 0 | tetrachlorobenzene | |
1,2,3-trichloropropane
[no description available] | 2.93 | 4 | 0 | organochlorine compound | |
diethyl ketone
diethyl ketone: RN given refers to unlabeled parent cpd. pentan-3-one : A pentanone that is pentane carrying an oxo group at position 3. It has been isolated from Triatoma brasiliensis and Triatoma infestans. | 3.07 | 1 | 0 | pentanone | animal metabolite |
cyclopentanol
[no description available] | 3.07 | 1 | 0 | cyclopentanols | |
ethyl 2-methylpropanoate
ethyl isobutyrate : A fatty acid ethyl ester obtained by the formal condensation of isobutyric acid with ethanol. | 3.07 | 1 | 0 | fatty acid ethyl ester | plant metabolite |
butylphen
butylphen: irritant; structure. 4-tert-butylphenol : A member of the class of phenols that is phenol substituted with a tert-butyl group at position 4. | 3.07 | 1 | 0 | phenols | allergen |
acetophenone
acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. | 3.07 | 1 | 0 | acetophenones | animal metabolite;
photosensitizing agent;
xenobiotic |
nitrobenzene
nitrobenzene : A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. | 3.07 | 1 | 0 | nitroarene;
nitrobenzenes | |
anisole
anisole : A monomethoxybenzene that is benzene substituted by a methoxy group. | 3.07 | 1 | 0 | monomethoxybenzene | plant metabolite |
ethyl propionate
ethyl propionate: cholesterol gallstone solvent. ethyl propionate : A propanoate ester of ethanol. | 3.07 | 1 | 0 | propanoate ester | metabolite |
ethyl butyrate
ethyl butyrate : A butyrate ester resulting from the formal condensation of the hydroxy group of ethanol with the carboxy group of butyric acid. | 3.07 | 1 | 0 | butyrate ester | plant metabolite |
2,4-dimethylphenol
2,4-dimethylphenol: RN given refers to parent cpd. 2,4-xylenol : A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4. | 3.07 | 1 | 0 | aromatic fungicide;
phenols | disinfectant;
volatile oil component |
ethylene dibromide
Ethylene Dibromide: An effective soil fumigant, insecticide, and nematocide. In humans, it causes severe burning of skin and irritation of the eyes and respiratory tract. Prolonged inhalation may cause liver necrosis. It is also used in gasoline. Members of this group have caused liver and lung cancers in rodents. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), 1,2-dibromoethane may reasonably be anticipated to be a carcinogen.. 1,2-dibromoethane : A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae. | 1.97 | 1 | 0 | bromoalkane;
bromohydrocarbon | algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen |
1-bromopropane
1-bromopropane: used as a solvent. 1-bromopropane : A bromoalkane that is propane carrying a bromo substituent at position 1. | 2.01 | 1 | 0 | bromoalkane;
bromohydrocarbon | neurotoxin;
solvent |
1-bromo-2-chloroethane
1-bromo-2-chloroethane : A haloalkane that is bromoethane substituted by chlorine at position 2. | 1.98 | 1 | 0 | haloalkane;
organobromine compound;
organochlorine compound | mutagen |
methyl formate
methyl formate: RN given refers to parent cpd. methyl formate : A formate ester resulting from the formal condensation of formic acid with methanol. A low-boiling (31.5 degreeC) colourless, flammable liquid, it has been used as a fumigant and larvicide for tobacco and food crops. | 3.07 | 1 | 0 | formate ester;
methyl ester;
volatile organic compound | fumigant;
insecticide;
polar aprotic solvent;
refrigerant |
2-methylpentane
Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning. | 1.97 | 1 | 0 | alkane | |
2-pentanone
pentanone : Any ketone that is pentane substituted by an oxo group at unspecified position. | 3.07 | 1 | 0 | methyl ketone;
pentanone | plant metabolite |
methyl isobutyl ketone
[no description available] | 3.07 | 1 | 0 | ketone | |
3-xylene
m-xylene : A xylene carrying methyl groups at positions 1 and 3. | 3.07 | 1 | 0 | xylene | |
1,3,5-trichlorobenzene
1,3,5-trichlorobenzene: structure in first source. 1,3,5-trichlorobenzene : A trichlorobenzene carrying chloro substituents at positions 1, 3 and 5. | 3.07 | 1 | 0 | trichlorobenzene | |
chlorobenzene
[no description available] | 3.07 | 1 | 0 | monochlorobenzenes | solvent |
cyclohexanol
Cyclohexanols: Monohydroxy derivatives of cyclohexanes that contain the general formula R-C6H11O. They have a camphorlike odor and are used in making soaps, insecticides, germicides, dry cleaning, and plasticizers.. cyclohexanols : An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton. | 3.07 | 1 | 0 | cyclohexanols;
secondary alcohol | solvent |
cyclohexanone
[no description available] | 3.07 | 1 | 0 | cyclohexanones | human xenobiotic metabolite |
propyl acetate
propyl acetate: affects aggression without affecting motor activity; RN given refers to parent cpd. propyl acetate : An acetate ester obtained by the formal condensation of acetic acid with propanol. | 3.07 | 1 | 0 | acetate ester | fragrance;
plant metabolite |
1,3-dibromopropane
1,3-dibromopropane: see also record for dibromopropane | 2.1 | 1 | 0 | | |
butyl bromide
[no description available] | 1.98 | 1 | 0 | | |
pentane
Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms. | 3.07 | 1 | 0 | alkane;
volatile organic compound | non-polar solvent;
refrigerant |
1-pentene
1-pentene: structure in first source | 3.07 | 1 | 0 | | |
butyl chloride
butyl chloride: structure | 3.48 | 2 | 0 | | |
ethyl formate
ethyl formate : A formate ester resulting from the formal condensation of formic acid with ethanol.. ethoxycarbonyl group : An organyl group of formula -COOEt. | 3.07 | 1 | 0 | ethyl ester;
formate ester | fumigant;
plant metabolite |
tetrahydrofuran
oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. | 3.07 | 1 | 0 | cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound | polar aprotic solvent |
thiophenes
Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring. | 2.1 | 1 | 0 | mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound | non-polar solvent |
isobutyl acetate
isobutyl acetate : The acetate ester of isobutanol. | 3.07 | 1 | 0 | acetate ester | Saccharomyces cerevisiae metabolite |
2-octanone
2-octanone : A methyl ketone that is octane substituted by an oxo group at position 2. | 3.07 | 1 | 0 | methyl ketone | metabolite |
1-hexanol
1-hexanol: RN given refers to parent cpd. hexanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of six carbon atoms.. hexan-1-ol : A primary alcohol that is hexane substituted by a hydroxy group at position 1. | 3.07 | 1 | 0 | hexanol;
primary alcohol | alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite |
heptanol
Heptanol: A colorless liquid with a fragrant odor. It is used as an intermediate, solvent and in cosmetics.. heptanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of seven carbon atoms.. heptan-1-ol : A primary alcohol that is heptane substituted by a hydroxy group at position 1. It has been isolated from Capillipedium parviflorum. | 3.07 | 1 | 0 | heptanol;
primary alcohol | flavouring agent;
fragrance;
gap junctional intercellular communication inhibitor;
plant metabolite |
propylene
propylene: structure | 3.23 | 6 | 0 | alkene;
gas molecular entity | refrigerant;
xenobiotic |
tetrafluoroethylene
tetrafluoroethylene: RN given refers to parent cpd; structure | 2.1 | 1 | 0 | fluorocarbon | |
cyclopentanone
[no description available] | 3.07 | 1 | 0 | cyclopentanones | Maillard reaction product |
2-naphthol
2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent. | 3.07 | 1 | 0 | naphthol | antinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger |
ethyl acetate
ethyl acetate : The acetate ester formed between acetic acid and ethanol. | 3.07 | 1 | 0 | acetate ester;
ethyl ester;
volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite |
1,3-dichloropropane
1,3-dichloropropane : A chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine. | 2.67 | 3 | 0 | chloroalkane;
chlorohydrocarbon | environmental contaminant;
nematicide |
dibutyl ether
[no description available] | 3.07 | 1 | 0 | | |
perfluorooctanoic acid
perfluorooctanoic acid: RN given refers to parent cpd. perfluorooctanoic acid : A fluoroalkanoic acid that is perfluorinated octanoic acid. | 2.1 | 1 | 0 | fluoroalkanoic acid | carcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic |
1-chloro-2-methylpropene
[no description available] | 1.98 | 1 | 0 | organochlorine compound | |
Ethyl pentanoate
ethyl valerate: a green apple flavoring agent | 3.07 | 1 | 0 | fatty acid ester | |
1,3-dichlorobenzene
1,3-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 3. | 3.07 | 1 | 0 | dichlorobenzene | |
1-chlorohexane
[no description available] | 1.98 | 1 | 0 | | |
3-chloro-2-methylprop-1-ene
[no description available] | 2.41 | 2 | 0 | organochlorine compound | |
2,2-dichloropropane
2,2-dichloropropane: a water pollutant | 1.98 | 1 | 0 | | |
pentachlorobenzene
pentachlorobenzene: structure. pentachlorobenzene : A member of the class of pentachlorobenzenes that is benzene in which five of the hydrogens are replaced by chlorines. Now classed as a persistent organic pollutant under the Stockholm Convention. | 3.07 | 1 | 0 | pentachlorobenzenes | persistent organic pollutant |
acetylcysteine
N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. | 3.07 | 5 | 0 | acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid | antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary |
2-hexanol
hexan-2-ol : A hexanol in which the hydroxy group is at position 2. | 3.07 | 1 | 0 | hexanol;
secondary alcohol | human metabolite;
plant metabolite;
semiochemical |
amyl acetate
amyl acetate: sources do not specify n-isomer. pentyl acetate : An acetate ester of pentanol. | 3.07 | 1 | 0 | acetate ester | metabolite |
1,1,1,2-tetrachloroethane
1,1,1,2-tetrachloroethane: see also record for tetrachloroethane | 1.98 | 1 | 0 | chloroethanes | |
1,2,3,4-tetrachlorobenzene
1,2,3,4-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2 , 3 and 4.. tetrachlorobenzene : Any member of the class of chlorobenzenes carrying four chloro groups at unspecified positions. | 3.07 | 1 | 0 | tetrachlorobenzene | |
1,2,3,5-tetrachlorobenzene
1,2,3,5-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2, 3 and 5. | 3.07 | 1 | 0 | tetrachlorobenzene | |
ethyl tert-butyl ether
ethyl tert-butyl ether: gasoline additive. tert-butyl ethyl ether : An ether having ethyl and tert-butyl as the two alkyl components. It is used as an engine fuel additive to reduce emissions of carbon monoxide and soot. | 2.03 | 1 | 0 | ether;
volatile organic compound | fuel additive |
1,3-propane sultone
1,3-propane sultone: sultone is usually defined as a derivative of 1,8-naphtholsulfonic acid; structure | 2.1 | 1 | 0 | sultone | |
vancomycin
Vancomycin: Antibacterial obtained from Streptomyces orientalis. It is a glycopeptide related to RISTOCETIN that inhibits bacterial cell wall assembly and is toxic to kidneys and the inner ear.. vancomycin : A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile. | 2.11 | 1 | 0 | glycopeptide | antibacterial drug;
antimicrobial agent;
bacterial metabolite |
methyl tert-butyl ether
methyl tert-butyl ether: used to dissolve gallstones; gasoline additive. methyl tert-butyl ether : An ether having methyl and tert-butyl as the two alkyl components. | 2.03 | 1 | 0 | ether | fuel additive;
metabolite;
non-polar solvent |
1,1-dichloro-1-fluoroethane
[no description available] | 2.1 | 1 | 0 | | |
methionine sulfoximine
methionine sulfoximine : A non-proteinogenic alpha-amino acid that is the sulfoximine derivative of methionine . | 1.97 | 1 | 0 | methionine derivative;
non-proteinogenic alpha-amino acid;
sulfoximide | |
3-chloro-4-hydroxybenzoate
[no description available] | 2 | 1 | 0 | | |
1-chlorohexadecane
[no description available] | 2.1 | 1 | 0 | | |
buthionine sulfoximine
Buthionine Sulfoximine: A synthetic amino acid that depletes glutathione by irreversibly inhibiting gamma-glutamylcysteine synthetase. Inhibition of this enzyme is a critical step in glutathione biosynthesis. It has been shown to inhibit the proliferative response in human T-lymphocytes and inhibit macrophage activation. (J Biol Chem 1995;270(33):1945-7). 2-amino-4-(S-butylsulfonimidoyl)butanoic acid : A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group carries an oxo, imino and butyl groups.. S-butyl-DL-homocysteine (S,R)-sulfoximine : A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl. | 1.97 | 1 | 0 | diastereoisomeric mixture;
homocysteines;
non-proteinogenic alpha-amino acid;
sulfoximide | EC 6.3.2.2 (glutamate--cysteine ligase) inhibitor;
ferroptosis inducer |
1,3-dichloro-1-propene
1,3-dichloro-1-propene: soil fumigant; RN given refers to cpd without isomeric designation; structure. 1,3-dichloropropene : A chloropropene with two chloro substituents at positions 1 and 3 respectively.. | 2.66 | 3 | 0 | | |
phenyl acetate
phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 2 | 1 | 0 | benzenes;
phenyl acetates | |
butyl acetate
butyl acetate: structure. butyl acetate : The acetate ester of butanol. | 3.07 | 1 | 0 | acetate ester | metabolite |
chlorodibromomethane
[no description available] | 1.98 | 1 | 0 | organochlorine compound | |
1-chloro-2-propanol
1-chloro-2-propanol: RN given refers to cpd without isomeric designation. 1-chloropropan-2-ol : A secondary alcohol that is isopropanol in which one of the methyl hydrogen atoms is substituted by chlorine. | 1.95 | 1 | 0 | organochlorine compound;
secondary alcohol | |
tetrachloroethylene
Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen. | 3.07 | 5 | 0 | chlorocarbon;
chloroethenes | nephrotoxic agent |
alkenes
[no description available] | 3.23 | 6 | 0 | | |
nitrosobis(2-oxopropyl)amine
nitrosobis(2-oxopropyl)amine: structure. nitrosobis(2-oxopropyl)amine : A nitrosamine that is iminodiacetone that is substituted by a nitroso group at the N-atom. It induces pancreatic ductal adenocarcinomas in Syrian golden hamsters (other rodents are not susceptible). | 2.11 | 1 | 0 | ketone;
nitrosamine | carcinogenic agent |
s-(3-hydroxypropyl)cysteine n-acetate
[no description available] | 1.95 | 1 | 0 | N-acyl-L-amino acid | |
caprylates
Caprylates: Derivatives of caprylic acid. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain a carboxy terminated eight carbon aliphatic structure.. octanoate : A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis. | 2.1 | 1 | 0 | fatty acid anion 8:0;
straight-chain saturated fatty acid anion | human metabolite;
Saccharomyces cerevisiae metabolite |
dibromopropane
dibromopropane: see also record for 1,3-dibromopropane | 2.1 | 1 | 0 | | |
bilirubin
[no description available] | 1.97 | 1 | 0 | biladienes;
dicarboxylic acid | antioxidant;
human metabolite;
mouse metabolite |