ISOBUTYL ISOVALERATE

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 Search

SMILES

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

InChI

InChIKey=KEBDNKNVCHQIJU-UHFFFAOYSA-N

InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3

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

PubMed

Title	Date	PubMed
Simultaneous determination of fatty, dicarboxylic and amino acids based on derivatization with isobutyl chloroformate followed by gas chromatography-positive ion chemical ionization mass spectrometry.	2004 Feb 5	14698242

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:58:56 GMT 2023` Edited by `admin` on `Fri Dec 15 18:58:56 GMT 2023`
Record UNII	6VCJ0UB168
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOBUTYL ISOVALERATE

Systematic Name

English

ISOVALERIC ACID, ISOBUTYL ESTER

Common Name

English

ISOBUTYL ISOVALERATE [MI]

Common Name

English

2-METHYLPROPYL 3-METHYLBUTYRATE [FHFI]

Common Name

English

2-METHYLPROPYL 3-METHYLBUTYRATE

Systematic Name

English

NSC-6993

Code

English

2-METHYL PROPYL 3-METHYL BUTYRATE

Common Name

English

BUTANOIC ACID, 3-METHYL-, 2-METHYLPROPYL ESTER

Common Name

English

FEMA NO. 3369

Code

English

2-METHYL PROPYL 3-METHYL BUTYRATE [FCC]

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

209-653-8