Methyl isovalerate Property

Melting point:

-91°C (estimate)

Boiling point:

114-115 °C (lit.)

Density 

0.881 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.393(lit.)

FEMA 

2753 | METHYL ISOVALERATE

Flash point:

58 °F

solubility 

soluble in Chloroform, Ethyl Acetate

color 

Colorless to Almost colorless

Specific Gravity

0.88

Odor

at 10.00 % in dipropylene glycol. strong apple fruity pineapple

Odor Type

fruity

Odor Threshold

0.0022ppm

Water Solubility 

insoluble

Merck 

14,6093

JECFA Number

195

BRN 

1699922

LogP

1.59

CAS DataBase Reference

556-24-1(CAS DataBase Reference)

NIST Chemistry Reference

Butanoic acid, 3-methyl-, methyl ester(556-24-1)

EPA Substance Registry System

Butanoic acid, 3-methyl-, methyl ester (556-24-1)

Safety

Hazard Codes 

F

Risk Statements 

11

Safety Statements 

16

RIDADR 

UN 2400 3/PG 2

WGK Germany 

3

RTECS 

NY1510000

F 

13

TSCA 

Yes

HazardClass 

3

PackingGroup 

II

HS Code 

29159000

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H225Highly Flammable liquid and vapour

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

Methyl isovalerate Chemical Properties,Usage,Production

Description

Methyl isovalerate has a strong, pungent, apple-like odor and a bitter flavor. It may be prepared by esterification of isovaleric acid with methyl alcohol at the boil in the presence of concentrated H2SON4.

Chemical Properties

Methyl isovalerate has a strong, pungent, apple-like odor and a bitter flavor. This compound is also reported to have an herbaceous, fruity odor.

Chemical Properties

clear slightly yellow liquid

Occurrence

Reported found in the juice of a few varieties of Florida oranges, pineapple, apple, banana, bilberry, blueberry, strawberry, melon, peas, peppermint oil, pepper, blue, Gruyere and parmesan cheese, coffee, honey, olive, mushroom, jackfruit, cherimoya, sage, custard apple, nectarine, lamb’s lettuce and cape gooseberry

Uses

Isovaleric Acid Methyl Ester is a volatile compound found in Albion and Juliette strawberry fruits that contributes to the flavor of the fruit.

Definition

ChEBI: Methyl 3-methylbutanoate is a fatty acid ester.

Preparation

By esterification of isovaleric acid with methyl alcohol at the boil in the presence of concentrated H2SO4.

Aroma threshold values

Detection: 4.4 to 44 ppb

Taste threshold values

Taste characteristics at 80 ppm: fruity, pineapple, apple with a juicy, fruit-like nuance

Synthesis Reference(s)

Tetrahedron Letters, 8, p. 4805, 1967 DOI: 10.1016/S0040-4039(01)89607-6

General Description

A colorless liquid. Flash point below 70°F. Less dense than water and insoluble in water. Vapors heavier than air. May be slightly toxic by ingestion and inhalation. Used to make other chemicals.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

Methyl isovalerate is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Health Hazard

May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.