METHYL ISOVALERATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H12O2
Molecular Weight	116.1583
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)CC(C)C

InChI

InChIKey=OQAGVSWESNCJJT-UHFFFAOYSA-N

InChI=1S/C6H12O2/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C6H12O2
Molecular Weight	116.1583
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
Changes in key odorants of raw coffee beans during storage under defined conditions.	2007 Jul 11	17571898

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:17:42 GMT 2023` Edited by `admin` on `Fri Dec 15 17:17:42 GMT 2023`
Record UNII	QPS4788198
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL ISOVALERATE

Systematic Name

English

3-METHYLBUTANOIC ACID METHYL ESTER

Systematic Name

English

METHYL 3-METHYLBUTANOATE

Systematic Name

English

FEMA NO. 2753

Code

English

ISOPENTANOIC ACID METHYL ESTER

Systematic Name

English

METHYL ISOVALERATE [FCC]

Common Name

English

METHYL ISOPENTANOATE

Systematic Name

English

METHYL ISOVALERATE [MI]

Common Name

English

METHYL ISOVALERATE [FHFI]

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 172.515