CHEBI:156074 - ethyl benzoate

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ChEBI Name ethyl benzoate
ChEBI ID CHEBI:156074
Definition A benzoate ester obtained by condensation of benzoic acid and ethanol. It is a volatile oil component found in ripe kiwifruit, cranberry juice, and palm kernel oil.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information ChemicalBook:CB9318180, eMolecules:479687, ZINC000000404389
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Formula C9H10O2
Net Charge 0
Average Mass 150.177
Monoisotopic Mass 150.06808
InChI InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey MTZQAGJQAFMTAQ-UHFFFAOYSA-N
SMILES C=1C=CC(=CC1)C(=O)OCC
Metabolite of Species Details
Vaccinium (NCBI:txid13749) Identified in in cranberry juices. See: PubMed
Spondias pinnata (NCBI:txid1592062) Found in fruit (BTO:0000486). Isolated from fruit peel. See: PubMed
Aquilaria sinensis (NCBI:txid210372) Found in root (BTO:0001188). See: PubMed
Elaeis guineensis (NCBI:txid51953) Found in seed (BTO:0001226). Found in palm kernel oil. See: DOI
Roles Classification
Biological Role(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
Application(s): flavouring agent
A food additive that is used to added improve the taste or odour of a food.
fragrance
A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
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ChEBI Ontology
Outgoing ethyl benzoate (CHEBI:156074) has role flavouring agent (CHEBI:35617)
ethyl benzoate (CHEBI:156074) has role fragrance (CHEBI:48318)
ethyl benzoate (CHEBI:156074) has role volatile oil component (CHEBI:27311)
ethyl benzoate (CHEBI:156074) is a benzoate ester (CHEBI:36054)
ethyl benzoate (CHEBI:156074) is a ethyl ester (CHEBI:23990)
IUPAC Name
ethyl benzoate
Synonyms Sources
benzoic acid ethyl ester ChEBI
Benzoic acid, ethyl ester ChemIDplus
benzoic ether ChemIDplus
benzoyl ethyl ether ChemIDplus
ethyl benzenecarboxylate ChemIDplus
ethyl benzoate UniProt
Manual Xrefs Databases
Ethyl_benzoate Wikipedia
FDB012197 FooDB
HMDB0033967 HMDB
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Registry Numbers Types Sources
1908172 Reaxys Registry Number Reaxys
93-89-0 CAS Registry Number NIST Chemistry WebBook
93-89-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21450321 PubMed citation SUBMITTER
24444918 PubMed citation Europe PMC
30154355 PubMed citation Europe PMC
30885715 PubMed citation Europe PMC
31802659 PubMed citation Europe PMC
31952118 PubMed citation Europe PMC
IND605312045 Agricola citation Europe PMC
Last Modified
09 July 2020