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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O
Molecular Weight 178.2707
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-BENZYL-3-PENTANOL

SMILES

CCC(O)(CC)CC1=CC=CC=C1

InChI

InChIKey=VXSLZYONEMVQRB-UHFFFAOYSA-N
InChI=1S/C12H18O/c1-3-12(13,4-2)10-11-8-6-5-7-9-11/h5-9,13H,3-4,10H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZENEETHANOL, .ALPHA.,.ALPHA.-DIETHYL-
Preferred Name English
3-BENZYL-3-PENTANOL
Systematic Name English
ALPHA,ALPHA-DIETHYLPHENETHYL ALCOHOL
Systematic Name English
.ALPHA.,.ALPHA.-DIETHYLBENZENEETHANOL
Systematic Name English
3-BENZYLPENTAN-3-OL
Systematic Name English
Code System Code Type Description
CAS
34577-40-7
Created by admin on Tue Apr 01 19:36:03 GMT 2025 , Edited by admin on Tue Apr 01 19:36:03 GMT 2025
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EPA CompTox
DTXSID9067857
Created by admin on Tue Apr 01 19:36:03 GMT 2025 , Edited by admin on Tue Apr 01 19:36:03 GMT 2025
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FDA UNII
327U45PG6Q
Created by admin on Tue Apr 01 19:36:03 GMT 2025 , Edited by admin on Tue Apr 01 19:36:03 GMT 2025
PRIMARY
PUBCHEM
118704
Created by admin on Tue Apr 01 19:36:03 GMT 2025 , Edited by admin on Tue Apr 01 19:36:03 GMT 2025
PRIMARY
ECHA (EC/EINECS)
252-098-1
Created by admin on Tue Apr 01 19:36:03 GMT 2025 , Edited by admin on Tue Apr 01 19:36:03 GMT 2025
PRIMARY