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.	2007-07-11	17571898

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:43:49 GMT 2025` Edited by `admin` on `Mon Mar 31 18:43:49 GMT 2025`
Record UNII	QPS4788198
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL ISOVALERATE

Systematic Name

English

METHYL ISOVALERATE [FCC]

Preferred 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 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