ISOPROPYL BENZOATE

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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

Structure Search

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

Molecular Formula	C10H12O2
Molecular Weight	164.2011
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed
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	19503938

Patents

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:09:07 GMT 2025` Edited by `admin` on `Mon Mar 31 19:09:07 GMT 2025`
Record UNII	1Q2618834N
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISOPROPYL BENZOATE

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

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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

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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

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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

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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

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