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CHEBI:87417 - 2-phenylethyl formate

ChEBI IDCHEBI:87417
ChEBI Name2-phenylethyl formate
Stars
DefinitionA formate ester of 2-phenylethanol.
Last Modified28 August 2015
Submitternamrata
DownloadsMolfile
FormulaC9H10O2
Net Charge0
Average Mass150.177
Monoisotopic Mass150.06808
SMILES[H]C(=O)OCCc1ccccc1
InChIInChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeyIKDIJXDZEYHZSD-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
formic acid phenethyl esterChEBI
2-Phenethyl methanoateChemIDplus
Benzylcarbinyl methanoateChemIDplus
Benzylcarbinyl formateChemIDplus
β-phenethyl formateNIST Chemistry WebBook
Manual XrefsDatabases
HMDB0040428HMDB
Registry NumbersSources
Reaxys:2044524Reaxys
CAS:104-62-1ChemIDplus
CAS:104-62-1NIST Chemistry WebBook