2,4,6-trichloroanisole profile

2,4,6-trichloroanisole (TCA) is a chlorinated aromatic compound that is commonly found in contaminated water sources. It has been linked to various health problems, including skin irritation, respiratory issues, and liver damage. TCA is formed through the chlorination of water sources, particularly in industrial settings. Its presence in drinking water is of great concern due to its potential toxicity and the lack of effective treatment methods to remove it. Research into TCA focuses on understanding its formation mechanisms, developing efficient treatment methods, and assessing its long-term health effects. The study of TCA is important for ensuring the safety of drinking water and protecting public health. TCA is an important subject of study due to its potential risks to human health and the environment. Further research is needed to develop effective strategies for preventing its formation and to mitigate its potential impacts.'

2,4,6-trichloroanisole: Cork taint compound [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

2,4,6-trichloroanisole : A monomethoxybenzene that is 1,3,5-trichlorobenzene in which one of the hydrogens is replaced by a methoxy group. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	6884
CHEBI ID	19333
SCHEMBL ID	54507
MeSH ID	M0285828

Synonym
anisole, 2,4,6-trichloro-
benzene, 1,3,5-trichloro-2-methoxy-
nsc-35142
anisole,4,6-trichloro-
2,6-trichloroanisole
tyrene
methyl 2,6-trichlorophenyl ether
benzene,3,5-trichloro-2-methoxy-
nsc35142
1,5-trichloro-2-methoxybenzene
87-40-1
2,4.6-trichloroanisole
inchi=1/c7h5cl3o/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3h,1h
2,4,6-trichloroanisole, 99%
methyl 2,4,6-trichlorophenyl ether
1,3,5-trichloro-2-methoxybenzene
2,4,6-trichloroanisole
CHEBI:19333
TRICHLOROANISOLE ,
T0867
2,4,6-trichloro-1-methoxybenzene
FT-0675439
nsc 35142
31o3x41254 ,
einecs 201-743-5
unii-31o3x41254
ai3-09173
FT-0631413
AKOS015849927
2,4,6-trichloroanisole [mi]
1-methoxy-2,4,6-trichlorobenzene
SCHEMBL54507
WCVOGSZTONGSQY-UHFFFAOYSA-N
DTXSID9073886
mfcd00000588
2,4,6-trichloroanisole, pestanal(r), analytical standard
AS-60959
F20912
2,4,6-trichloroanisole 10 microg/ml in isooctane
2,4,6-trichloroanisole 100 microg/ml in methanol
anisole, 2,4,6-trichloro- (8ci)
benzene, 1,3,5-trichloro-2-methoxy- (9ci)
1,3,5-trichloro-2-methoxy-benzene
2,4,6-trichloro-anisole
1,3,5-trichloro-2-methoxybenzene, 9ci
Q209191
2,4,6-trichloroanisole 1000 microg/ml in methanol
CS-0150571
SY051443

Excerpt	Relevance	Reference
" The percent removal of trace odorants at any given time for a particular carbon dosage is irrelative to the initial concentration of the odor compounds."	( Removal of earthy-musty odorants in drinking water by powdered activated carbon. Liang, C; Sun, W; Wang, D; Yang, M; Zhang, S, 2005)	0.33
" The increasing of both the bauxite dosage and the ozone dosage enhanced the removal effectiveness of TCA."	( Ozonation catalyzed by the raw bauxite for the degradation of 2,4,6-trichloroanisole in drinking water. Chen, Z; Ma, J; Qi, F; Sun, D; Wu, F; Xu, B; Zhang, L, 2009)	0.59

Class	Description
monomethoxybenzene	Compounds containing a benzene skeleton substituted with one methoxy group.
trichlorobenzene	Any member of the class of chlorobenzenes carrying three chloro substituents at unspecified positions.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	1 (1.25)	18.2507
2000's	40 (50.00)	29.6817
2010's	32 (40.00)	24.3611
2020's	7 (8.75)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	80 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
guaiacol Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.	7.43	2	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
naphthalene [no description available]	2.02	1	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
vanillin Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS).	2.06	1	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
2,4,6-tribromophenol [no description available]	2.04	1	bromophenol	environmental contaminant; fungicide; marine metabolite
ddt 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source	2	1	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
benzophenone benzophenone : The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.	2.02	1	benzophenones	photosensitizing agent; plant 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.	4.31	18	tetrachlorophenol	xenobiotic metabolite
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.	2.05	1	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
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.	2.07	1	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
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.	2.25	1	alkadiene; hemiterpene; volatile organic compound	plant metabolite
2,4,6-trichlorophenol [no description available]	4	13	trichlorophenol	carcinogenic agent
styrene Styrene: A colorless, toxic liquid with a strong aromatic odor. It is used to make rubbers, polymers and copolymers, and polystyrene plastics.. styrene : A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species.	2.02	1	styrenes; vinylarene; volatile organic compound	mouse metabolite; mutagen; plant metabolite
anisole anisole : A monomethoxybenzene that is benzene substituted by a methoxy group.	2.1	1	monomethoxybenzene	plant metabolite
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.	3.14	5	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
pyrazines Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.	2.97	4	diazine; pyrazines	Daphnia magna metabolite
2,4,6-tribromoanisole 2,4,6-tribromoanisole: produced by O-methylation of its direct precursor, 2,4,6-tribromophenol, generally comes from sources in the winery environment	3.65	9
2-pyrrolidone 2-pyrrolidone: RN given refers to parent cpd. pyrrolidin-2-one : The simplest member of the class of pyrrolidin-2-ones, consisting of pyrrolidine in which the hydrogens at position 2 are replaced by an oxo group. The lactam arising by the formal intramolecular condensation of the amino and carboxy groups of gamma-aminobutyric acid (GABA).	2.06	1	pyrrolidin-2-ones	metabolite; polar solvent
pentachloroanisole [no description available]	2.75	3
1-octen-3-ol 1-octen-3-ol: main flavor component of mushrooms; RN given refers to cpd without isomeric designation; bait for insect vectors (tsetse, sandflies, mosquitoes). oct-1-en-3-ol : An alkenyl alcohol with a structure based on a C8 unbranched chain with the hydroxy group at C-2 and unsaturation at C-1-C-2. It is a major volatile compound present in many mushrooms and fungi.	2.02	1	alkenyl alcohol; medium-chain fatty alcohol	antimicrobial agent; fungal metabolite; insect attractant; volatile oil component
diheptyl phthalate diheptyl phthalate : The diheptyl ester of benzene-1,2-dicarboxylic acid.	2.02	1	diester; phthalate ester
2,3,4,5-tetrachlorophenate tetrachlorophenol: RN given refers to cpd with unspecified isomeric designation; see also record for 2,3,4,6-tetrachlorophenol. tetrachlorophenol : A chlorophenol that is phenol in which four of the hydrogens attached to the benzene ring are replaced by chlorines.. 2,3,4,5-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 5.	2.03	1	tetrachlorophenol	xenobiotic metabolite
deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.	2.05	1	dihydrogen
chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.	3.16	5	diatomic chlorine; gas molecular entity	bleaching agent
ozone Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.	2.45	2	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
geosmin geosmin: earthy smelling cpd from sediment in Lake Biwa; structure. (-)-geosmin : The (-)-stereoisomer of geosmin, having 4S,4aS,8aR configuration.	8.14	5	geosmin
2-isobutyl-3-methoxypyrazine [no description available]	2.97	4
2-isopropyl-3-methoxypyrazine 2-isopropyl-3-methoxypyrazine: structure given in first source	2.74	3
1-octen-3-one 1-octen-3-one: structure in first source	2.02	1	olefinic compound
2,2-dimethoxy-2-phenylacetophenone [no description available]	2.02	1
sulfur Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine.	2.21	1	chalcogen; nonmetal atom	macronutrient
aluminum oxide Aluminum Oxide: An oxide of aluminum, occurring in nature as various minerals such as bauxite, corundum, etc. It is used as an adsorbent, desiccating agent, and catalyst, and in the manufacture of dental cements and refractories.	2.05	1
s-adenosylmethionine (R)-S-adenosyl-L-methionine : An S-adenosyl-L-methionine that has R-configuration.. S-adenosyl-L-methionine zwitterion : A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.. (R)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.. (S)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.. S-adenosyl-L-methionine : A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.	2.01	1	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
agar Agar: A complex sulfated polymer of galactose units, extracted from Gelidium cartilagineum, Gracilaria confervoides, and related red algae. It is used as a gel in the preparation of solid culture media for microorganisms, as a bulk laxative, in making emulsions, and as a supporting medium for immunodiffusion and immunoelectrophoresis.. agar : A complex mixture of polysaccharides extracted from species of red algae. Its two main components are agarose and agaropectin. Agarose is the component responsible for the high-strength gelling properties of agar, while agaropectin provides the viscous properties.	2.41	1
2-methylisoborneol 2-methylisoborneol: structure. 2-methylisoborneol : An bornane monoterpenoid comprising isoborneol carrying a 2-methyl substituent (the 1R,2R,4R-diastereomer).	8.13	5

Condition	Indicated	Relationship Strength	Studies	Trials
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	0	4.1	15	0

2,4,6-trichloroanisole

Description

Cross-References

Synonyms (49)

Research Excerpts

Dosage Studied

Drug Classes (2)

Research

Studies (80)

Market Indicators

Research Demand Index: 34.70

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