Compounds > n-butyl n-butyrate
Page last updated: 2024-12-05

n-butyl n-butyrate

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

n-Butyl n-butyrate, also known as butyl butyrate, is an ester with a fruity, apple-like aroma. It is a colorless liquid with a sweet, slightly spicy odor. It is a common component of artificial fruit flavors and fragrances. It is also used as a solvent and plasticizer. n-Butyl n-butyrate can be synthesized by the esterification of butyric acid with n-butanol in the presence of an acid catalyst. The reaction is typically carried out at elevated temperatures and pressures. n-Butyl n-butyrate has been studied for its potential use in various applications, including food flavoring, fragrance, and as a solvent. Research has focused on its synthesis, properties, and applications. The compound is also being investigated for its potential antimicrobial activity and its role in food spoilage.'

n-butyl n-butyrate: structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

butyl butanoate : A butanoate ester of butan-1-ol. [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]

Cross-References

ID SourceID
PubMed CID7983
CHEBI ID87429
SCHEMBL ID113994
MeSH IDM0079385

Synonyms (59)

Synonym
LS-13508
n-butyl butyrate
1-butyl butyrate
wln: 4ov3
butyric acid, butyl ester
n-butyl butanoate
109-21-7
butyl butyrate
nsc-8458
n-butyl n-butanoate
butyl butylate
butyl butanoate
n-butyl n-butyrate
nsc8458
einecs 203-656-8
nsc 8458
butyl butyrate (natural)
fema no. 2186
brn 1747101
ai3-06125
ccris 6551
n-butyl-n-butyrate
butanoic acid, butyl ester
butyl butyrate, natural, >=98%, fcc, fg
butyl butyrate, >=98%, fcc, fg
butyl butyrate, 98%
B0757
butyric acid butyl ester
FT-0654703
A801979
butanoic acid butyl ester
AKOS009165857
unii-1bhv00t1m4
4-02-00-00789 (beilstein handbook reference)
1bhv00t1m4 ,
butryl butyrate
LMFA07010418
we(4:0/4:0)
butylbutyrate
SCHEMBL113994
n-butyl-butyrate
butyric acid n-butyl ester
butyl butyrate [fhfi]
butyl butyrate [fcc]
n-butyl n-butyrate [mi]
butyl n-butyrate
butyl ester of butanoic acid
n-butyric acid n-butyl ester
n-butyric n-butyl ester
CHEBI:87429
DTXSID7041702
J-519960
J-002246
butyl butyrate, analytical standard
mfcd00009450
butyric acid-butyl ester
fema 2186
Q2212471
EN300-52980
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (1)

RoleDescription
metaboliteAny intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
[role 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]

Drug Classes (1)

ClassDescription
butyrate esterAny carboxylic ester where the carboxylic acid component is butyric acid.
[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]

Research

Studies (29)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's1 (3.45)18.2507
2000's2 (6.90)29.6817
2010's20 (68.97)24.3611
2020's6 (20.69)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 26.31

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index26.31 (24.57)
Research Supply Index3.47 (2.92)
Research Growth Index5.46 (4.65)
Search Engine Demand Index24.72 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (26.31)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews3 (9.68%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other28 (90.32%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).		2.6320ketone body;
methyl ketone;
propanones;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
2,3-butylene glycol
2,3-butylene glycol: RN given refers to cpd without isomeric designation. butane-2,3-diol : A butanediol in which hydroxylation is at C-2 and C-3.		2.1310butanediol;
glycol;
secondary alcohol
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.		5.05110alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol		human metabolite;
mouse metabolite;
protic solvent
butyric acid
Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.. butyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.. butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.		3.0640fatty acid 4:0;
straight-chain saturated fatty acid		human urinary metabolite;
Mycoplasma genitalium metabolite
lipoamide
Lipozyme: lipase from Rhizomucor miehei immobilized on anion exchange resin		2.0810dithiolanes;
monocarboxylic acid amide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae 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.		2.08104-nitrophenolshuman xenobiotic metabolite;
mouse metabolite
1-anilino-8-naphthalenesulfonate
1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8.		5.26150aminonaphthalene;
naphthalenesulfonic acid		fluorescent probe
ethylenediamine
ethylenediamine: RN given refers to parent cpd; edamine is the recommended contraction for the ethylenediamine radical. ethylenediamine : An alkane-alpha,omega-diamine in which the alkane is ethane.		2.110alkane-alpha,omega-diamineGABA agonist
glutaral
Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative.. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5.		2.5220dialdehydecross-linking reagent;
disinfectant;
fixative
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.		2.2510secondary alcohol;
secondary fatty alcohol		protic solvent
phenylethyl alcohol
Phenylethyl Alcohol: An antimicrobial, antiseptic, and disinfectant that is used also as an aromatic essence and preservative in pharmaceutics and perfumery.. 2-phenylethanol : A primary alcohol that is ethanol substituted by a phenyl group at position 2.		2.0310benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
mannitol
[no description available]		2.610mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
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.		2.4720pentanol;
short-chain primary fatty alcohol		human metabolite;
plant metabolite
methyl benzoate
methyl benzoate : A benzoate ester obtained by condensation of benzoic acid and methanol.		2.1310benzoate ester;
methyl ester		insect attractant;
metabolite
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.		2.0810styrenes;
vinylarene;
volatile organic compound		mouse metabolite;
mutagen;
plant metabolite
limestone
Calcium Carbonate: Carbonic acid calcium salt (CaCO3). An odorless, tasteless powder or crystal that occurs in nature. It is used therapeutically as a phosphate buffer in hemodialysis patients and as a calcium supplement.. calcium carbonate : A calcium salt with formula CCaO3.		2.1510calcium salt;
carbonate salt;
inorganic calcium salt;
one-carbon compound		antacid;
fertilizer;
food colouring;
food firming agent
n-hexadecane
n-hexadecane: structure. hexadecane : A straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper.		2.1310long-chain alkanenon-polar solvent;
plant metabolite;
volatile oil component
tripalmitin
tripalmitin: structure. tripalmitin : A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by palmitic (hexadecanoic) acid.		2.0510triglyceride
chlorine
Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.		2.0510diatomic chlorine;
gas molecular entity		bleaching agent
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.		2.830benzenes;
phenyl acetates
butyl acetate
butyl acetate: structure. butyl acetate : The acetate ester of butanol.		2.5920acetate estermetabolite
isoamyl acetate
isoamyl acetate: structure in Merck, 9th ed, #4958. isoamyl acetate : The acetate ester of isoamylol.		2.4720acetate estermetabolite;
Saccharomyces cerevisiae metabolite
alkenes
[no description available]		2.1310
divinyl benzene
[no description available]		2.0810styrenes
4-nitrophenyl butyrate
p-nitrophenyl butyrate : A butyrate ester resulting from the formal condensation of the hydroxy group of 4-nitrophenol with the carboxy group of butyric acid.		2.1110butyrate ester;
C-nitro compound
glucuronic acid
Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form.		2.1310D-glucuronic acidalgal metabolite
butyryl-coenzyme a
[no description available]		2.1710butanoyl-CoAsEscherichia coli metabolite;
mouse metabolite
xylose
xylopyranose: structure in first source		2.1310D-xylose
hydroxyl radical
Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent.		2.0510oxygen hydride;
oxygen radical;
reactive oxygen species
acetyl coenzyme a
Acetyl Coenzyme A: Acetyl CoA participates in the biosynthesis of fatty acids and sterols, in the oxidation of fatty acids and in the metabolism of many amino acids. It also acts as a biological acetylating agent.		2.3110acyl-CoAacyl donor;
coenzyme;
effector;
fundamental metabolite
triolein
Triolein: (Z)-9-Octadecenoic acid 1,2,3-propanetriyl ester.. triolein : A triglyceride formed by esterification of the three hydroxy groups of glycerol with oleic acid. Triolein is one of the two components of Lorenzo's oil.		2.0510triglycerideCaenorhabditis elegans metabolite;
plant metabolite
9-pentacosene
9-pentacosene: structure in first source		2.1310
sepharose
agarose : A linear polysaccharide made up from alternating D-galactose and 3,6-anhydro-alpha-L-galactopyranose residues joined by alpha-(1->3)- and beta-(1->4)-linkages.		2.110
nad
NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.		2.3110organophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite
nitrophenols
Nitrophenols: PHENOLS carrying nitro group substituents.		2.0810
ConditionIndicatedRelationship StrengthStudiesTrials