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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O
Molecular Weight 176.2548
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(1-METHYLETHENYL)-6-(1-METHYLETHYL)PHENOL

SMILES

CC(C)C1=CC=CC(C(C)=C)=C1O

InChI

InChIKey=GJROCIUTKTZPSH-UHFFFAOYSA-N
InChI=1S/C12H16O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-7,9,13H,1H2,2-4H3

HIDE SMILES / InChI

Molecular Formula C12H16O
Molecular Weight 176.2548
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:18:35 GMT 2025
Edited
by admin
on Mon Mar 31 22:18:35 GMT 2025
Record UNII
C466146QUN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPOFOL IMPURITY B [EP IMPURITY]
Preferred Name English
2-(1-METHYLETHENYL)-6-(1-METHYLETHYL)PHENOL
Systematic Name English
2-ISOPROPENYL-6-ISOPROPYLPHENOL
Systematic Name English
PHENOL, 2-(1-METHYLETHENYL)-6-(1-METHYLETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
19710759
Created by admin on Mon Mar 31 22:18:35 GMT 2025 , Edited by admin on Mon Mar 31 22:18:35 GMT 2025
PRIMARY
CAS
74926-89-9
Created by admin on Mon Mar 31 22:18:35 GMT 2025 , Edited by admin on Mon Mar 31 22:18:35 GMT 2025
PRIMARY
FDA UNII
C466146QUN
Created by admin on Mon Mar 31 22:18:35 GMT 2025 , Edited by admin on Mon Mar 31 22:18:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID20225899
Created by admin on Mon Mar 31 22:18:35 GMT 2025 , Edited by admin on Mon Mar 31 22:18:35 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY