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Details

Stereochemistry RACEMIC
Molecular Formula C12H18O
Molecular Weight 178.2707
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4'-ISOBUTYLPHENYL)ETHANOL

SMILES

CC(C)CC1=CC=C(C=C1)C(C)O

InChI

InChIKey=VLVILBSSXMZZCB-UHFFFAOYSA-N
InChI=1S/C12H18O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9-10,13H,8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H18O
Molecular Weight 178.2707
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:33:54 GMT 2025
Edited
by admin
on Wed Apr 02 10:33:54 GMT 2025
Record UNII
J5CKP7HNL5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4'-ISOBUTYLPHENYL)ETHANOL
Systematic Name English
1-(4-ISOBUTYLPHENYL)ETHAN-1-OL
Preferred Name English
BENZENEMETHANOL, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
181654
Created by admin on Wed Apr 02 10:33:54 GMT 2025 , Edited by admin on Wed Apr 02 10:33:54 GMT 2025
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CAS
40150-92-3
Created by admin on Wed Apr 02 10:33:54 GMT 2025 , Edited by admin on Wed Apr 02 10:33:54 GMT 2025
PRIMARY
FDA UNII
J5CKP7HNL5
Created by admin on Wed Apr 02 10:33:54 GMT 2025 , Edited by admin on Wed Apr 02 10:33:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID80960592
Created by admin on Wed Apr 02 10:33:54 GMT 2025 , Edited by admin on Wed Apr 02 10:33:54 GMT 2025
PRIMARY