3-Methylvaleric Acid

Product Name:

3-Methylvaleric acid

Synonyms:

(+/-)-3-METHYLVALERIC ACID;3-METHYLVALERIC ACID;3-METHYLPENTANOIC ACID;3-METHYL-N-VALERIC ACID;3-METHYL-N-PENTANOIC ACID;2-Methyl butane-1-carboxylic acid;FEMA 3437;FEMA NUMBER 3437

CAS:

105-43-1

MF:

C6H12O2

MW:

116.16

EINECS:

203-297-7

Product Categories:

Organic Building Blocks;Building Blocks;C6;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis

Mol File:

105-43-1.mol

Melting point 

-41 °C

Boiling point 

196-198 °C(lit.)

density 

0.93 g/mL at 25 °C(lit.)

FEMA 

3437 | 3-METHYLPENTANOIC ACID

refractive index 

n20/D 1.416(lit.)

Fp 

185 °F

storage temp. 

Store below +30°C.

pka

pK1:4.766 (25°C)

Specific Gravity

0.930

Water Solubility 

insoluble

JECFA Number

262

BRN 

1720696

InChIKey

IGIDLTISMCAULB-UHFFFAOYSA-N

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)

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

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

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

Raw materials

DIETHYL SEC-BUTYLMALONATE