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

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 3-METHYL-4-(1-METHYLBUTYL)PHENOL

SMILES

CCCC(C)C1=C(C)C=C(O)C=C1

InChI

InChIKey=FPCGDEALXSZHCZ-UHFFFAOYSA-N
InChI=1S/C12H18O/c1-4-5-9(2)12-7-6-11(13)8-10(12)3/h6-9,13H,4-5H2,1-3H3

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 Sat Dec 16 11:00:38 GMT 2023
Edited
by admin
on Sat Dec 16 11:00:38 GMT 2023
Record UNII
269L33M420
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-4-(1-METHYLBUTYL)PHENOL
Systematic Name English
M-CRESOL, 4-(1-METHYLBUTYL)-
Systematic Name English
PHENOL, 3-METHYL-4-(1-METHYLBUTYL)-
Systematic Name English
Code System Code Type Description
CAS
14705-07-8
Created by admin on Sat Dec 16 11:00:38 GMT 2023 , Edited by admin on Sat Dec 16 11:00:38 GMT 2023
PRIMARY
PUBCHEM
86278138
Created by admin on Sat Dec 16 11:00:38 GMT 2023 , Edited by admin on Sat Dec 16 11:00:38 GMT 2023
PRIMARY
FDA UNII
269L33M420
Created by admin on Sat Dec 16 11:00:38 GMT 2023 , Edited by admin on Sat Dec 16 11:00:38 GMT 2023
PRIMARY