CHEBI:180412 - 1-Phenylethyl acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-Phenylethyl acetate
ChEBI ID CHEBI:180412
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H12O2
Net Charge 0
Average Mass 164.204
Monoisotopic Mass 164.08373
InChI InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey QUMXDOLUJCHOAY-UHFFFAOYSA-N
SMILES O(C(C1=CC=CC=C1)C)C(=O)C
ChEBI Ontology
Outgoing 1-Phenylethyl acetate (CHEBI:180412) has functional parent benzyl alcohol (CHEBI:17987)
1-Phenylethyl acetate (CHEBI:180412) is a carboxylic ester (CHEBI:33308)
IUPAC Name
1-phenylethyl acetate
Manual Xrefs Databases
56133 ChemSpider
HMDB0032620 HMDB
View more database links
Registry Number Type Source
93-92-5 CAS Registry Number ChemIDplus