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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H16O
Molecular Weight 164.2441
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2-ISOPROPOXYETHYL)BENZENE

SMILES

CC(C)OCCC1=CC=CC=C1

InChI

InChIKey=FMPXLXBVYDFXIC-UHFFFAOYSA-N
InChI=1S/C11H16O/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
(2-ISOPROPOXYETHYL)BENZENE
Systematic Name English
(2-(1-METHYLETHOXY)ETHYL)BENZENE
Preferred Name English
BENZENE, (2-(1-METHYLETHOXY)ETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
106442
Created by admin on Mon Mar 31 22:35:33 GMT 2025 , Edited by admin on Mon Mar 31 22:35:33 GMT 2025
PRIMARY
CAS
68039-47-4
Created by admin on Mon Mar 31 22:35:33 GMT 2025 , Edited by admin on Mon Mar 31 22:35:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID5052389
Created by admin on Mon Mar 31 22:35:33 GMT 2025 , Edited by admin on Mon Mar 31 22:35:33 GMT 2025
PRIMARY
FDA UNII
ZKE9RT8RF4
Created by admin on Mon Mar 31 22:35:33 GMT 2025 , Edited by admin on Mon Mar 31 22:35:33 GMT 2025
PRIMARY
ECHA (EC/EINECS)
268-262-0
Created by admin on Mon Mar 31 22:35:33 GMT 2025 , Edited by admin on Mon Mar 31 22:35:33 GMT 2025
PRIMARY