CHEBI:87417 - 2-phenylethyl formate

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ChEBI Name 2-phenylethyl formate
ChEBI ID CHEBI:87417
Definition A formate ester of 2-phenylethanol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H10O2
Net Charge 0
Average Mass 150.17450
Monoisotopic Mass 150.06808
InChI InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey IKDIJXDZEYHZSD-UHFFFAOYSA-N
SMILES O=COCCc1ccccc1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 2-phenylethyl formate (CHEBI:87417) has functional parent 2-phenylethanol (CHEBI:49000)
2-phenylethyl formate (CHEBI:87417) has role metabolite (CHEBI:25212)
2-phenylethyl formate (CHEBI:87417) is a formate ester (CHEBI:52343)
IUPAC Name
2-phenylethyl formate
Synonyms Sources
2-Phenethyl methanoate ChemIDplus
Benzylcarbinyl formate ChemIDplus
Benzylcarbinyl methanoate ChemIDplus
β-phenethyl formate NIST Chemistry WebBook
formic acid phenethyl ester ChEBI
Manual Xref Database
HMDB0040428 HMDB
View more database links
Registry Numbers Types Sources
104-62-1 CAS Registry Number ChemIDplus
104-62-1 CAS Registry Number NIST Chemistry WebBook
2044524 Reaxys Registry Number Reaxys
Last Modified
28 August 2015