2-methylhexanoic acid

Synonym(s):2-Methylcaproic acid

CAS NO.：4536-23-6
Empirical Formula: C7H14O2
Molecular Weight: 130.18
MDL number: MFCD00002674
EINECS: 224-883-9
SAFETY DATA SHEET (SDS)
Update Date: 2024-11-19 23:02:33

What is 2-methylhexanoic acid?

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.

Properties of 2-methylhexanoic acid

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.)
FEMA	3191 \| 2-METHYLHEXANOIC ACID
refractive index	n20/D 1.422(lit.)
Flash point:	222 °F
storage temp.	Store at 2-8°C
solubility	Aqueous Base (Slightly), Chloroform (Soluble), Methanol (Slightly)
Water Solubility	Soluble in water
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
JECFA Number	265
BRN	1721227
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 for 2-methylhexanoic acid

Signal word	Danger
Pictogram(s)	Flame Flammables GHS02 Corrosion Corrosives GHS05
GHS Hazard Statements	H226:Flammable liquids H314:Skin corrosion/irritation
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.