DL-3-Methylvaleric acid Chemical Properties

Melting point:

-41 °C

Boiling point:

196-198 °C (lit.)

Density 

0.93 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.416(lit.)

FEMA 

3437 | 3-METHYLPENTANOIC ACID

Flash point:

185 °F

storage temp. 

Sealed in dry,Room Temperature

pka

pK1:4.766 (25°C)

form 

clear liquid

Specific Gravity

0.930

color 

Colorless to Almost colorless

Odor

at 1.00 % in dipropylene glycol. animal sharp acidic cheesy green fruity sweaty

Odor Type

animal

Water Solubility 

insoluble

JECFA Number

262

BRN 

1720696

InChIKey

IGIDLTISMCAULB-UHFFFAOYSA-N

LogP

1.66

CAS DataBase Reference

105-43-1(CAS DataBase Reference)

NIST Chemistry Reference

Pentanoic acid, 3-methyl-(105-43-1)

EPA Substance Registry System

Pentanoic acid, 3-methyl- (105-43-1)

Safety Information

Hazard Codes 

C

Risk Statements 

34

Safety Statements 

26-36/37/39-45

RIDADR 

UN 3265 8/PG 2

WGK Germany 

3

F 

13

Hazard Note 

Corrosive

TSCA 

T

HazardClass 

8

PackingGroup 

II

HS Code 

29159080

MSDS

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DL-3-Methylvaleric acid Usage And Synthesis

Description

3-Methylpentanoic has a sour, herbaceous, slightly green odor. This is synthesized from the diethylester of sec-butyl-malonic acid.

Chemical Properties

clear colorless to slightly yellow liquid

Occurrence

Reported found in the oil from tobacco leaves (d-form), baked potato, parmesan, provolone and romano cheese, goat and sheep cheese, lamb fat, rum, cocoa, black tea and chempedak (Arthocarpus polyphema).

Uses

3-Methylvaleric acid (3-Methylpentanoic acid) was used in the synthesis of 3-methyl-1-pentanol.

Definition

ChEBI: 3-methylvaleric acid is a methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 3. It has a role as a plant metabolite, an animal metabolite, a fungal metabolite and a flavouring agent. It is a methyl-branched fatty acid, a short-chain fatty acid, a branched-chain saturated fatty acid and a monocarboxylic acid. It is a conjugate acid of a 3-methylvalerate.

Preparation

From the diethylester of sec-butyl-malonic acid.

Aroma threshold values

Detection: 46 to 280 ppb

Taste threshold values

Taste characteristics at 30 ppm: sour, cheesey, fresh with fruity notes

Synthesis Reference(s)

Journal of the American Chemical Society, 75, p. 6342, 1953 DOI: 10.1021/ja01120a539
The Journal of Organic Chemistry, 65, p. 397, 2000 DOI: 10.1021/jo991218a
Organic Syntheses, Coll. Vol. 2, p. 416, 1943

DL-3-Methylvaleric acid(105-43-1)Related Product Information

• Estradiol valerate
• Kresoxim-methyl
• MAGNESIUM DIPROPYLACETATE HYDRATE
• Methyl acetate
• DL-Malic acid
• Tribenuron methyl
• 2-Propylpentanoic acid
• Ethyl 2-(Chlorosulfonyl)acetate
• Methyl salicylate
• Folic acid
• Citric acid
• Pirimiphos-methyl
• Pivalic acid
• Thiophanate-methyl
• METSULFURON METHYL
• Methyl
• Ascoric Acid
• Parathion-methyl