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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O3
Molecular Weight 222.2802
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pentyl phenoxyacetate

SMILES

CCCCCOC(=O)COC1=CC=CC=C1

InChI

InChIKey=ALEKBMQVKFWMOR-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-2-3-7-10-15-13(14)11-16-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Amyl phenoxyacetate
Preferred Name English
Pentyl phenoxyacetate
Common Name English
Pentyl 2-phenoxyacetate
Systematic Name English
Acetic acid, 2-phenoxy-, pentyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
NB6GLW3KRF
Created by admin on Wed Apr 02 21:04:21 GMT 2025 , Edited by admin on Wed Apr 02 21:04:21 GMT 2025
PRIMARY
PUBCHEM
3018520
Created by admin on Wed Apr 02 21:04:21 GMT 2025 , Edited by admin on Wed Apr 02 21:04:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID30996048
Created by admin on Wed Apr 02 21:04:21 GMT 2025 , Edited by admin on Wed Apr 02 21:04:21 GMT 2025
PRIMARY
CAS
74525-52-3
Created by admin on Wed Apr 02 21:04:21 GMT 2025 , Edited by admin on Wed Apr 02 21:04:21 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966