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CHEBI:146174 - benzyl cinnamate

Default Structure
ChEBI IDCHEBI:146174
ChEBI Namebenzyl cinnamate
Stars
DefinitionThe cinnamate ester derived from cinnamic acid and benzyl alcohol. Occuring in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, it is used in heavy oriental perfumes, as a fixative and as a flavouring agent.
Last Modified18 February 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H14O2
Net Charge0
Average Mass238.286
Monoisotopic Mass238.09938
SMILESO=C(/C=C/c1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H14O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2/b12-11+
InChIKeyNGHOLYJTSCBCGC-VAWYXSNFSA-N
Wikipedia
Roles Classification
Chemical Role:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Biological Roles:
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
fixative  Any compound used for the purpose of preserving biological tissues from decay in such a way as to allow for the preparation of thin, stained sections for subsequent histological study.
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
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.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
benzyl cinnamate (CHEBI:146174) has role antigen (CHEBI:59132)
benzyl cinnamate (CHEBI:146174) has role epitope (CHEBI:53000)
benzyl cinnamate (CHEBI:146174) has role fixative (CHEBI:50913)
benzyl cinnamate (CHEBI:146174) has role flavouring agent (CHEBI:35617)
benzyl cinnamate (CHEBI:146174) has role fragrance (CHEBI:48318)
benzyl cinnamate (CHEBI:146174) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
benzyl (2E)-3-phenylprop-2-enoate
Synonyms  Source
3-phenyl-2-propenoic acid, phenylmethyl esterChemIDplus
benzyl (2E)-3-phenylacrylateIUPAC
Benzyl alcohol, cinnamic esterChemIDplus
trans-Cinnamic acid benzyl esterChemIDplus
Manual XrefsDatabases
Benzyl_cinnamateWikipedia
Citations