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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H18O2
Molecular Weight 218.2915
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methylphenyl cyclohexanecarboxylate

SMILES

CC1=CC(OC(=O)C2CCCCC2)=CC=C1

InChI

InChIKey=WSOGYYKXYMIDJU-UHFFFAOYSA-N
InChI=1S/C14H18O2/c1-11-6-5-9-13(10-11)16-14(15)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Cyclohexanecarboxylic acid, 3-methylphenyl ester
Preferred Name English
3-Methylphenyl cyclohexanecarboxylate
Systematic Name English
Cyclohexanecarboxylic acid, m-tolyl ester
Systematic Name English
m-Tolyl cyclohexanecarboxylate
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
242-542-2
Created by admin on Tue Apr 01 17:36:55 GMT 2025 , Edited by admin on Tue Apr 01 17:36:55 GMT 2025
PRIMARY
PUBCHEM
87766
Created by admin on Tue Apr 01 17:36:55 GMT 2025 , Edited by admin on Tue Apr 01 17:36:55 GMT 2025
PRIMARY
CAS
18731-59-4
Created by admin on Tue Apr 01 17:36:55 GMT 2025 , Edited by admin on Tue Apr 01 17:36:55 GMT 2025
PRIMARY
FDA UNII
AF7PP7CPM4
Created by admin on Tue Apr 01 17:36:55 GMT 2025 , Edited by admin on Tue Apr 01 17:36:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID70172041
Created by admin on Tue Apr 01 17:36:55 GMT 2025 , Edited by admin on Tue Apr 01 17:36:55 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