2-methylhexanoic acid Chemical Properties

Melting point:

-55.77°C (estimate)

Boiling point:

209-210 °C (lit.)

Density 

0.918 g/mL at 25 °C (lit.)

vapor pressure 

0.0576 mmHg ( 25 °C)(lit.)

refractive index 

n20/D 1.422(lit.)

FEMA 

3191 | 2-METHYLHEXANOIC ACID

Flash point:

222 °F

storage temp. 

Store at 2-8°C

Water Solubility 

Soluble in water

solubility 

Aqueous Base (Slightly), Chloroform (Soluble), Methanol (Slightly)

form 

clear liquid

pka

4.82±0.21(Predicted)

Specific Gravity

0.916

color 

Colorless to Light yellow

Odor

at 10.00 % in dipropylene glycol. fruity cheese oily fatty lard

Odor Type

cheesy

biological source

synthetic

JECFA Number

265

BRN 

1721227

LogP

2.19

CAS DataBase Reference

4536-23-6(CAS DataBase Reference)

NIST Chemistry Reference

Hexanoic acid, 2-methyl-(4536-23-6)

EPA Substance Registry System

Hexanoic acid, 2-methyl- (4536-23-6)

Safety Information

Hazard Codes 

C

Risk Statements 

34

Safety Statements 

26-36/37/39-45

RIDADR 

UN 3265 8/PG 2

WGK Germany 

2

RTECS 

MO8400600

TSCA 

Yes

HazardClass 

8

PackingGroup 

III

HS Code 

29159080

MSDS

• Language:English Provider:2-Methylhexanoic acid
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2-methylhexanoic acid Usage And Synthesis

Application

2-Methylhexanoic acid, also known as 2-butylpropionic acid, butylmethylacetic acid, or hexane-2-carboxylic acid, is FEMA number 3191. It is a colorless, oily liquid at room temperature. Its optically active isomers are miscible with water, ether, ethanol, chloroform, and other solvents. It is naturally found in apples and strawberries. Aroma: Acidic, oily, fatty, lard, and chicken fat aroma, with hints of roasted, appetizing dishes. Taste: Dairy, creamy, and oily fatty aroma. Used in food processing flavorings such as lard, chicken fat, appetizing dishes, and dairy products. It can be produced by chlorinating sec-hexanol to form a Grignard reagent, then passing dry carbon dioxide gas into the Grignard reagent reaction solution, reacting, and finally hydrolyzing to obtain the product.

Description

2-methylhexanoic acid is a medium-chain fatty acid with an aliphatic tail that contains between 4 and 12 carbon atoms. It naturally occurs in Bothriochloa bladhii. 2-methylhexanoic acid has a unique profile with a great combination of cheese and fruit characteristics which work perfectly in either savory or sweet applications.

Chemical Properties

2-Methylhexanoic acid is a clear colorless to slightly yellow liquid with has a fruity odor.

Occurrence

Reported found in baked potato, grape brandy and Virginia tobacco, parmesan cheese, raw and cooked mutton, roasted lamb, cognac and black tea.

Preparation

By catalytic hydrogenation of hexadien-2-carboxylic acid.

Definition

ChEBI: 2-methylhexanoic acid is a medium-chain fatty acid.

Aroma threshold values

Detection: 920 ppb to 2.7 ppm. Aroma characteristics at 1.0%: acidic sour, dairy fatty with cooked lardlike nuances

Taste threshold values

Taste characteristics at 40 ppm: dairy, creamy fatty with an oily mouthfeel and waxy nuance.

General Description

2-methylhexanoic acid has been identified as one of the volatile flavor compounds in the peel and pulp of doum fruit.

Hazard

A reproductive hazard.

2-methylhexanoic acid(4536-23-6)Related Product Information

• Ethyl Hexanoate
• Hexyl hexanoate
• 6-Aminocaproic acid
• Allyl hexanoate
• Methyl hexanoate
• Citric acid
• Ascoric Acid
• Tranexamic Acid
• Methyl cyclohexanecarboxylate
• 1,2,3,4-CYCLOPENTANETETRACARBOXYLIC ACID
• 1-Phenylcyclopentanecarboxylic acid
• 1-METHYL-1-CYCLOHEXANECARBOXYLIC ACID
• D-(+)-Camphoric acid
• ALPHA-PHENYLCYCLOPENTANEACETIC ACID
• 1,4-Cyclohexanedicarboxylic acid
• Diethyl succinosuccinate
• 1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBOXYLIC ACID
• trans-1,2-Cyclohexanedicarboxylic acid