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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H12O
Molecular Weight 136.191
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSEUDOCUMENOL

SMILES

CC1=CC(C)=C(O)C=C1C

InChI

InChIKey=VXSCPERJHPWROZ-UHFFFAOYSA-N
InChI=1S/C9H12O/c1-6-4-8(3)9(10)5-7(6)2/h4-5,10H,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H12O
Molecular Weight 136.191
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 19:49:13 GMT 2025
Edited
by admin
on Mon Mar 31 19:49:13 GMT 2025
Record UNII
3PCA9E425C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-38776
Preferred Name English
PSEUDOCUMENOL
Systematic Name English
2,4,5-TRIMETHYLPHENOL
Systematic Name English
5-HYDROXYPSEUDOCUMENE
Systematic Name English
PHENOL, 2,4,5-TRIMETHYL-
Systematic Name English
1-HYDROXY-2,4,5-TRIMETHYLBENZENE
Systematic Name English
Code System Code Type Description
NSC
38776
Created by admin on Mon Mar 31 19:49:13 GMT 2025 , Edited by admin on Mon Mar 31 19:49:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID2060094
Created by admin on Mon Mar 31 19:49:13 GMT 2025 , Edited by admin on Mon Mar 31 19:49:13 GMT 2025
PRIMARY
FDA UNII
3PCA9E425C
Created by admin on Mon Mar 31 19:49:13 GMT 2025 , Edited by admin on Mon Mar 31 19:49:13 GMT 2025
PRIMARY
CAS
496-78-6
Created by admin on Mon Mar 31 19:49:13 GMT 2025 , Edited by admin on Mon Mar 31 19:49:13 GMT 2025
PRIMARY
ECHA (EC/EINECS)
207-832-5
Created by admin on Mon Mar 31 19:49:13 GMT 2025 , Edited by admin on Mon Mar 31 19:49:13 GMT 2025
PRIMARY
PUBCHEM
10335
Created by admin on Mon Mar 31 19:49:13 GMT 2025 , Edited by admin on Mon Mar 31 19:49:13 GMT 2025
PRIMARY