U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O2
Molecular Weight 206.2808
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENETHYL VALERATE

SMILES

CCCCC(=O)OCCC1=CC=CC=C1

InChI

InChIKey=PDGPIBIURNPBSE-UHFFFAOYSA-N
InChI=1S/C13H18O2/c1-2-3-9-13(14)15-11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3

HIDE SMILES / InChI

Approval Year

Name Type Language
PHENETHYL VALERATE
Systematic Name English
PENTANOIC ACID, 2-PHENYLETHYL ESTER
Common Name English
2-PHENETHYL PENTANOATE
Systematic Name English
NSC-404213
Code English
Code System Code Type Description
PUBCHEM
81964
Created by admin on Fri Dec 15 18:09:38 GMT 2023 , Edited by admin on Fri Dec 15 18:09:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID9064712
Created by admin on Fri Dec 15 18:09:38 GMT 2023 , Edited by admin on Fri Dec 15 18:09:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-246-9
Created by admin on Fri Dec 15 18:09:38 GMT 2023 , Edited by admin on Fri Dec 15 18:09:38 GMT 2023
PRIMARY
FDA UNII
ZXI2952JET
Created by admin on Fri Dec 15 18:09:38 GMT 2023 , Edited by admin on Fri Dec 15 18:09:38 GMT 2023
PRIMARY
CAS
7460-74-4
Created by admin on Fri Dec 15 18:09:38 GMT 2023 , Edited by admin on Fri Dec 15 18:09:38 GMT 2023
PRIMARY
NSC
404213
Created by admin on Fri Dec 15 18:09:38 GMT 2023 , Edited by admin on Fri Dec 15 18:09:38 GMT 2023
PRIMARY