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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
Investigation of steric and functionality limits in the enzymatic dihydroxylation of benzoate esters. Versatile intermediates for the synthesis of pseudo-sugars, amino cyclitols, and bicyclic ring systems.
2009-06-21
Patents

Patents

Name Type Language
ISOPROPYL BENZOATE
FHFI   INCI  
INCI  
Official Name English
BENZOIC ACID, 1-METHYLETHYL ESTER
Preferred Name English
ISOPROPYL BENZOATE [FHFI]
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, ISOPROPYL ESTER
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 19:09:07 GMT 2025 , Edited by admin on Mon Mar 31 19:09:07 GMT 2025
JECFA EVALUATION ISOPROPYL BENZOATE
Created by admin on Mon Mar 31 19:09:07 GMT 2025 , Edited by admin on Mon Mar 31 19:09:07 GMT 2025
Code System Code Type Description
CAS
939-48-0
Created by admin on Mon Mar 31 19:09:07 GMT 2025 , Edited by admin on Mon Mar 31 19:09:07 GMT 2025
PRIMARY
ECHA (EC/EINECS)
213-361-6
Created by admin on Mon Mar 31 19:09:07 GMT 2025 , Edited by admin on Mon Mar 31 19:09:07 GMT 2025
PRIMARY
FDA UNII
1Q2618834N
Created by admin on Mon Mar 31 19:09:07 GMT 2025 , Edited by admin on Mon Mar 31 19:09:07 GMT 2025
PRIMARY
PUBCHEM
13654
Created by admin on Mon Mar 31 19:09:07 GMT 2025 , Edited by admin on Mon Mar 31 19:09:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID9044746
Created by admin on Mon Mar 31 19:09:07 GMT 2025 , Edited by admin on Mon Mar 31 19:09:07 GMT 2025
PRIMARY
JECFA MONOGRAPH
813
Created by admin on Mon Mar 31 19:09:07 GMT 2025 , Edited by admin on Mon Mar 31 19:09:07 GMT 2025
PRIMARY