4-Methylvaleric acid Property

Melting point:

-35 °C

Boiling point:

199-201 °C (lit.)

Density 

0.923 g/mL at 25 °C (lit.)

refractive index 

n20/D 1.414(lit.)

FEMA 

3463 | 4-METHYLPENTANOIC ACID

Flash point:

207 °F

storage temp. 

Store below +30°C.

solubility 

Chloroform (Sparingly), Methanol (Slightly)

pka

4.84(at 18℃)

form 

Liquid

Specific Gravity

0.923

color 

Clear colorless to slightly yellow

Odor

at 1.00 % in propylene glycol. pungent cheese

Odor Type

cheesy

Odor Threshold

0.0004ppm

Water Solubility 

INSOLUBLE

JECFA Number

264

BRN 

1741912

Stability:

Stable. Incompatible with strong bases, strong oxidizing agents.

InChIKey

FGKJLKRYENPLQH-UHFFFAOYSA-N

LogP

1.66

CAS DataBase Reference

646-07-1(CAS DataBase Reference)

NIST Chemistry Reference

Pentanoic acid, 4-methyl-(646-07-1)

EPA Substance Registry System

Pentanoic acid, 4-methyl- (646-07-1)

Safety

Hazard Codes 

Xn,C

Risk Statements 

21-38-34

Safety Statements 

36/37-45-36/37/39-25

RIDADR 

UN 2810 6.1/PG 3

WGK Germany 

3

RTECS 

NR2975000

F 

13

TSCA 

T

HazardClass 

8

PackingGroup 

III

HS Code 

29159080

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H311Toxic in contact with skin

H314Causes severe skin burns and eye damage

Precautionary statements

P280Wear protective gloves/protective clothing/eye protection/face protection.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

4-Methylvaleric acid Chemical Properties,Usage,Production

Description

4-Methylpentanoic acid has an unpleasant sour and penetrating odor.

Chemical Properties

4-Methylpentanoic acid has an unpleasant, sour, penetrating odor.

Chemical Properties

slightly brown liquid

Occurrence

Reported found in apple, roasted barley, beef, prefermented bread, Camembert cheese, Emmenthal cheese, roasted cocoa beans, dry cured ham, hops, roasted pecans, rum, soybeans, black tea, wine, guava, papaya, strawberry fruit and jam, baked potato, bell pepper, tomato, many cheeses, fish, beef, mutton, hop oil, mushrooms, mango, rice, sake, malt, wort, dried bonito and mussels

Uses

4-Methylvaleric acid has been used in asymmetric synthesis of (4S)-4-isopropyl-3-[(2?S)-2?,4?-dimethyl-valeryl)]-2-oxazolidinone. It is a versatile building block used in the synthesis of various pharmaceutical and biologically active compounds, including inhibitors and antagonists. It is involved in the synthesis of novel series of high affinity, functionally potent antagonists of the CCR1 receptor.

Uses

4-Methylvaleric acid has been used in asymmetric synthesis of (4S)-4-isopropyl-3-[(2′S)-2′,4′-dimethyl-valeryl)]-2-oxazolidinone.

Uses

Intermediate for plasticizers, pharmaceuticalsand perfumes.

Application

4-Methylvaleric acid, although identified in Nature, has found very little, if any, use in perfumes or flavors. It is mentioned mainly for the sake of completing the monographs on Methylpentanoic acids.

Definition

ChEBI: A methyl-branched fatty acid that is pentanoic acid with a methyl group substituent at position 4. It is a metabolite of 20 alpha-hydroxycholesterol

Aroma threshold values

Detection: 810 ppb.

Synthesis Reference(s)

The Journal of Organic Chemistry, 40, p. 1844, 1975 DOI: 10.1021/jo00900a040

General Description

Conductimetric detection of 4-methylvaleric acid on unfunctionized polymethacrylate resin (TSKgel G3000PWXL) columns has been reported.