2-methylhexanoic acid

2-methylhexanoic acid Basic information

Product Name:	2-methylhexanoic acid
Synonyms:	FEMA 3191;FEMA NUMBER 3191;CARBOXYLIC ACID C7;2-Hexanecarboxylic acid;2-hexanecarboxylicacid;2-methyl-hexanoicaci;2-Methylhexansαure;alpha-Methylcaproic acid
CAS:	4536-23-6
MF:	C7H14O2
MW:	130.18
EINECS:	224-883-9
Product Categories:
Mol File:	4536-23-6.mol

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.)
FEMA	3191 \| 2-METHYLHEXANOIC ACID
refractive index	n20/D 1.422(lit.)
Fp	222 °F
storage temp.	Store at 2-8°C
solubility	Aqueous Base (Slightly), Chloroform (Soluble), Methanol (Slightly)
solubility	Soluble[in water]
Water Solubility	Soluble in water
pka	4.82±0.21(Predicted)
form	clear liquid
Specific Gravity	0.916
color	Colorless to Light yellow
Odor	at 10.00 % in dipropylene glycol. fruity cheese oily fatty lard
Odor Type	cheesy
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

MSDS Information

2-methylhexanoic acid Usage And Synthesis

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 Preparation Products And Raw materials

Raw materials	Hydrochloric acid-->Tetrahydrofuran-->PETROLEUM ETHER-->Sodium chloride-->Diisopropylamine-->Propionic acid-->Sodium nitrate-->1-Bromobutane-->Hexamethylphosphoramide
Preparation Products	4-Methyloctanoic acid-->3-METHYL-2-HEPTANONE

Login