BENZYL ISOBUTYRATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H14O2
Molecular Weight	178.2277
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZYL ISOBUTYRATE

Structure Search

SMILES

CC(C)C(=O)OCC1=CC=CC=C1

InChI

InChIKey=UIKJRDSCEYGECG-UHFFFAOYSA-N

InChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C11H14O2
Molecular Weight	178.2277
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:49:46 GMT 2025` Edited by `admin` on `Mon Mar 31 18:49:46 GMT 2025`
Record UNII	P98PE45V9M
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FEMA NO. 2141

Preferred Name

English

BENZYL ISOBUTYRATE

Systematic Name

English

BENZYL ISOBUTYRATE [FHFI]

Common Name

English

BENZYL ISOBUTYRATE [FCC]

Common Name

English

BENZYL 2-METHYL PROPIONATE

Common Name

English

PHENYLMETHYL 2-METHYLPROPANOATE

Systematic Name

English

NSC-406201

Code

English

ISOBUTYRIC ACID, BENZYL ESTER

Common Name

English

NSC-46112

Code

English

PROPANOIC ACID, 2-METHYL-, PHENYLMETHYL ESTER

Common Name

English

BENZYL 2-METHYLPROPANOATE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

BENZYL ISOBUTYRATE

Created by admin on Mon Mar 31 18:49:46 GMT 2025 , Edited by admin on Mon Mar 31 18:49:46 GMT 2025

CFR

21 CFR 172.515

Created by admin on Mon Mar 31 18:49:46 GMT 2025 , Edited by admin on Mon Mar 31 18:49:46 GMT 2025

Code System Code Type Description

ECHA (EC/EINECS)

203-095-9

Created by admin on Mon Mar 31 18:49:46 GMT 2025 , Edited by admin on Mon Mar 31 18:49:46 GMT 2025

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EPA CompTox

DTXSID6047602

Created by admin on Mon Mar 31 18:49:46 GMT 2025 , Edited by admin on Mon Mar 31 18:49:46 GMT 2025

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FDA UNII

P98PE45V9M

Created by admin on Mon Mar 31 18:49:46 GMT 2025 , Edited by admin on Mon Mar 31 18:49:46 GMT 2025

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CAS

103-28-6

Created by admin on Mon Mar 31 18:49:46 GMT 2025 , Edited by admin on Mon Mar 31 18:49:46 GMT 2025

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SMS_ID

100000151542

Created by admin on Mon Mar 31 18:49:46 GMT 2025 , Edited by admin on Mon Mar 31 18:49:46 GMT 2025

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EVMPD

SUB125807

Created by admin on Mon Mar 31 18:49:46 GMT 2025 , Edited by admin on Mon Mar 31 18:49:46 GMT 2025

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JECFA MONOGRAPH

748

Created by admin on Mon Mar 31 18:49:46 GMT 2025 , Edited by admin on Mon Mar 31 18:49:46 GMT 2025

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NSC

46112

Created by admin on Mon Mar 31 18:49:46 GMT 2025 , Edited by admin on Mon Mar 31 18:49:46 GMT 2025

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PUBCHEM

7646

Created by admin on Mon Mar 31 18:49:46 GMT 2025 , Edited by admin on Mon Mar 31 18:49:46 GMT 2025

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NSC

406201

Created by admin on Mon Mar 31 18:49:46 GMT 2025 , Edited by admin on Mon Mar 31 18:49:46 GMT 2025

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