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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H12O2
Molecular Weight 152.1904
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ISOPROPYLCATECHOL

SMILES

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

InChI

InChIKey=XLZHGKDRKSKCAU-UHFFFAOYSA-N
InChI=1S/C9H12O2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-6,10-11H,1-2H3

HIDE SMILES / InChI

Molecular Formula C9H12O2
Molecular Weight 152.1904
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Metagenomics reveals diversity and abundance of meta-cleavage pathways in microbial communities from soil highly contaminated with jet fuel under air-sparging bioremediation.
2009-09
The treatment of melasma: a review of clinical trials.
2006-12
N-Aralkyl substitution of 2-amino-5,6- and -6,7-dihydroxy-1,2,3,4-tetrahydronaphthalenes. 1. Cardiac and pressor/depressor activities.
1981-07
Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 19:13:46 GMT 2025
Edited
by admin
on Mon Mar 31 19:13:46 GMT 2025
Record UNII
SOV0198261
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-62675
Preferred Name English
3-ISOPROPYLCATECHOL
Systematic Name English
PYROCATECHOL, 3-ISOPROPYL-
Systematic Name English
1,2-BENZENEDIOL, 3-(1-METHYLETHYL)-
Systematic Name English
Code System Code Type Description
CAS
2138-48-9
Created by admin on Mon Mar 31 19:13:46 GMT 2025 , Edited by admin on Mon Mar 31 19:13:46 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-385-0
Created by admin on Mon Mar 31 19:13:46 GMT 2025 , Edited by admin on Mon Mar 31 19:13:46 GMT 2025
PRIMARY
NSC
62675
Created by admin on Mon Mar 31 19:13:46 GMT 2025 , Edited by admin on Mon Mar 31 19:13:46 GMT 2025
PRIMARY
FDA UNII
SOV0198261
Created by admin on Mon Mar 31 19:13:46 GMT 2025 , Edited by admin on Mon Mar 31 19:13:46 GMT 2025
PRIMARY
PUBCHEM
16498
Created by admin on Mon Mar 31 19:13:46 GMT 2025 , Edited by admin on Mon Mar 31 19:13:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID80175644
Created by admin on Mon Mar 31 19:13:46 GMT 2025 , Edited by admin on Mon Mar 31 19:13:46 GMT 2025
PRIMARY
CHEBI
28708
Created by admin on Mon Mar 31 19:13:46 GMT 2025 , Edited by admin on Mon Mar 31 19:13:46 GMT 2025
PRIMARY