ISOPROPYL BENZOATE

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 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

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 Jun 21	19503938

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:17:09 GMT 2023` Edited by `admin` on `Fri Dec 15 18:17:09 GMT 2023`
Record UNII	1Q2618834N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOPROPYL BENZOATE

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