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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O2
Molecular Weight 164.2011
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPROPYL BENZOATE

SMILES

CC(C)OC(=O)C1=CC=CC=C1

InChI

InChIKey=FEXQDZTYJVXMOS-UHFFFAOYSA-N
InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Name Type Language
ISOPROPYL BENZOATE
FHFI   INCI  
INCI  
Official Name English
ISOPROPYL BENZOATE [FHFI]
Common Name English
ISOPROPYL BENZOATE [INCI]
Common Name English
1-METHYLETHYL BENZOATE
Systematic Name English
PROPAN-2-YL BENZOATE
Systematic Name English
BENZOIC ACID ISO-PROPYL ESTER
Systematic Name English
FEMA NO. 2932
Code English
BENZOIC ACID, 1-METHYLETHYL ESTER
Common Name English
BENZOIC ACID, ISOPROPYL ESTER
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:17:09 GMT 2023 , Edited by admin on Fri Dec 15 18:17:09 GMT 2023
JECFA EVALUATION ISOPROPYL BENZOATE
Created by admin on Fri Dec 15 18:17:09 GMT 2023 , Edited by admin on Fri Dec 15 18:17:09 GMT 2023
Code System Code Type Description
CAS
939-48-0
Created by admin on Fri Dec 15 18:17:09 GMT 2023 , Edited by admin on Fri Dec 15 18:17:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
213-361-6
Created by admin on Fri Dec 15 18:17:09 GMT 2023 , Edited by admin on Fri Dec 15 18:17:09 GMT 2023
PRIMARY
FDA UNII
1Q2618834N
Created by admin on Fri Dec 15 18:17:09 GMT 2023 , Edited by admin on Fri Dec 15 18:17:09 GMT 2023
PRIMARY
PUBCHEM
13654
Created by admin on Fri Dec 15 18:17:09 GMT 2023 , Edited by admin on Fri Dec 15 18:17:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID9044746
Created by admin on Fri Dec 15 18:17:09 GMT 2023 , Edited by admin on Fri Dec 15 18:17:09 GMT 2023
PRIMARY
JECFA MONOGRAPH
813
Created by admin on Fri Dec 15 18:17:09 GMT 2023 , Edited by admin on Fri Dec 15 18:17:09 GMT 2023
PRIMARY