CHEBI:86192 - butyl anthranilate

ChEBI IDCHEBI:86192
ChEBI Namebutyl anthranilate
Stars
DefinitionA benzoate ester obtained by formal condensation of the carboxy group of anthranilic acid with the hydroxy group of butanol. Found in several fruit species, it is used as a flavouring and fragrance agent and also exhibits insect repellent properties.
Last Modified29 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC11H15NO2
Net Charge0
Average Mass193.246
Monoisotopic Mass193.11028
SMILESCCCCOC(=O)c1ccccc1N
InChIInChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3
InChIKeyHUIYGGQINIVDNW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Applications:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
insect repellent  An insecticide that acts as a repellent to insects.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
butyl anthranilate (CHEBI:86192) has functional parent anthranilic acid (CHEBI:30754)
butyl anthranilate (CHEBI:86192) has functional parent butan-1-ol (CHEBI:28885)
butyl anthranilate (CHEBI:86192) has role flavouring agent (CHEBI:35617)
butyl anthranilate (CHEBI:86192) has role fragrance (CHEBI:48318)
butyl anthranilate (CHEBI:86192) has role insect repellent (CHEBI:71692)
butyl anthranilate (CHEBI:86192) has role plant metabolite (CHEBI:76924)
butyl anthranilate (CHEBI:86192) is a benzoate ester (CHEBI:36054)
butyl anthranilate (CHEBI:86192) is a substituted aniline (CHEBI:48975)
Synonyms  Source
Butyl 2-aminobenzoateChemIDplus
2-Aminobenzoic acid butyl esterChemIDplus
n-Butyl o-aminobenzoateChemIDplus
Butyl o-aminobenzoateChemIDplus
n-Butyl anthranilateChemIDplus
Anthranilic acid, butyl esterChemIDplus
Manual XrefsDatabases
HMDB0036906HMDB
US5437991Patent
Registry NumbersSources
Reaxys:388241Reaxys
CAS:7756-96-9ChemIDplus
CAS:7756-96-9NIST Chemistry WebBook
Citations