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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O3
Molecular Weight 222.2802
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXY-3,5-DIISOPROPYLBENZOIC ACID

SMILES

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

InChI

InChIKey=WYAZPCLFZZTVSP-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3,(H,15,16)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4-HYDROXY-3,5-DIISOPROPYLBENZOIC ACID
Systematic Name English
4-HYDROXY-3,5-BIS(1-METHYLETHYL)BENZOIC ACID
Systematic Name English
PROPOFOL IMPURITY N [EP IMPURITY]
Common Name English
BENZOIC ACID, 4-HYDROXY-3,5-BIS(1-METHYLETHYL)-
Systematic Name English
Code System Code Type Description
CAS
13423-73-9
Created by admin on Sat Dec 16 09:09:12 GMT 2023 , Edited by admin on Sat Dec 16 09:09:12 GMT 2023
PRIMARY
PUBCHEM
25972
Created by admin on Sat Dec 16 09:09:12 GMT 2023 , Edited by admin on Sat Dec 16 09:09:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID30158604
Created by admin on Sat Dec 16 09:09:12 GMT 2023 , Edited by admin on Sat Dec 16 09:09:12 GMT 2023
PRIMARY
FDA UNII
79DU6CB34N
Created by admin on Sat Dec 16 09:09:12 GMT 2023 , Edited by admin on Sat Dec 16 09:09:12 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966