CHEBI:156070 - butyl benzoate

ChEBI IDCHEBI:156070
ChEBI Namebutyl benzoate
Stars
DefinitionA benzoate ester obtained by condensation of benzoic acid and butanol. It is used as a perfume ingredient and as a solvent for cellulose ether, a dye carrier for textiles.
Last Modified9 July 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC11H14O2
Net Charge0
Average Mass178.231
Monoisotopic Mass178.09938
SMILESCCCCOC(=O)c1ccccc1
InChIInChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyXSIFPSYPOVKYCO-UHFFFAOYSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antimicrobial food preservative  A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).
Applications:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
antimicrobial food preservative  A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).
ChEBI Ontology
Outgoing Relation(s)
butyl benzoate (CHEBI:156070) has role antimicrobial food preservative (CHEBI:65256)
butyl benzoate (CHEBI:156070) has role fragrance (CHEBI:48318)
butyl benzoate (CHEBI:156070) has role plant metabolite (CHEBI:76924)
butyl benzoate (CHEBI:156070) is a benzoate ester (CHEBI:36054)
IUPAC Name 
butyl benzoate
Synonyms  Source
n-butyl benzoateChemIDplus
benzoic acid n-butyl esterChemIDplus
Benzoic acid, butyl esterChemIDplus
benzoic acid butyl esterChEBI
Brand Names  Source
Dai Cari XBNChemIDplus
Anthrapole AZChemIDplus
UniProt Name  Source
butyl benzoateUniProt
Manual XrefsDatabases
CPD-19955MetaCyc
FDB008741FooDB
Registry NumbersSources
Reaxys:1867073Reaxys
CAS:136-60-7ChemIDplus
CAS:136-60-7NIST Chemistry WebBook
Citations