ISOBUTYL BENZOATE

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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 ISOBUTYL BENZOATE

Structure Search

SMILES

CC(C)COC(=O)C1=CC=CC=C1

InChI

InChIKey=KYZHGEFMXZOSJN-UHFFFAOYSA-N

InChI=1S/C11H14O2/c1-9(2)8-13-11(12)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 `Fri Dec 15 18:16:43 GMT 2023` Edited by `admin` on `Fri Dec 15 18:16:43 GMT 2023`
Record UNII	KQ6XZ9WJII
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISOBUTYL BENZOATE

Official Name

English

2-METHYLPROPYL BENZOATE

Systematic Name

English

BENZOIC ACID, 2-METHYLPROPYL ESTER

Common Name

English

FEMA NO. 2185

Code

English

BENZOIC ACID ISO-BUTYL ESTER

Systematic Name

English

ISOBUTYL BENZOATE [INCI]

Common Name

English

NSC-6580

Code

English

ISOBUTYL BENZOATE [FHFI]

Common Name

English

BENZOIC ACID, ISOBUTYL ESTER

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

ISOBUTYL BENZOATE

Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023

CFR

21 CFR 172.515

Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023

Code System Code Type Description

NSC

6580

Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023

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ECHA (EC/EINECS)

204-401-3

Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023

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JECFA MONOGRAPH

756

Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023

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EPA CompTox

DTXSID6047074

Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023

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CAS

120-50-3

Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023

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PUBCHEM

61048

Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023

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FDA UNII

KQ6XZ9WJII

Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023

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CHEBI

87500

Created by admin on Fri Dec 15 18:16:43 GMT 2023 , Edited by admin on Fri Dec 15 18:16:43 GMT 2023

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