BUTYL ISOVALERATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H18O2
Molecular Weight	158.238
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTYL ISOVALERATE

Structure Search

SMILES

CCCCOC(=O)CC(C)C

InChI

InChIKey=AYWJSCLAAPJZEF-UHFFFAOYSA-N

InChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C9H18O2
Molecular Weight	158.238
Charge	0
Count

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

Approval Year

Patents

Patents

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	4UX6V9QM2J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BUTYL ISOVALERATE

Systematic Name

English

FEMA NO. 2218

Preferred Name

English

BUTYL ISOVALERATE [FCC]

Common Name

English

BUTYL ISOVALERATE [FHFI]

Common Name

English

N-BUTYL 3-METHYLBUTYRATE

Common Name

English

BUTANOIC ACID, 3-METHYL-, BUTYL ESTER

Common Name

English

NSC-6187

Code

English

BUTYL 3-METHYL BUTYRATE

Common Name

English

BUTYL ISOVALERATE [HSDB]

Common Name

English

N-BUTYL ISOVALERATE

Common Name

English

BUTYL 3-METHYL BUTANOATE

Common Name

English

ISOVALERIC ACID, BUTYL ESTER

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

BUTYL ISOVALERATE

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

SMS_ID

100000178174

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

PRIMARY

DAILYMED

4UX6V9QM2J

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

PRIMARY

PUBCHEM

7981

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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HSDB

6383

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

DTXSID9047621

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

6187

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

204

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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RXCUI

2548036

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

109-19-3

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

4UX6V9QM2J

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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ECHA (EC/EINECS)

203-654-7

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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