2-methylhexanoic acid

2-methylhexanoic acid
  • CAS No.:4536-23-6
Other grades of this product :
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.)
refractive index n20/D 1.422(lit.)
FEMA 3191 | 2-METHYLHEXANOIC ACID
Fp 222 °F
Water Solubility Soluble in water
form clear liquid
pka4.82±0.21(Predicted)
color Colorless to Light yellow
Specific Gravity0.916
JECFA Number265
BRN 1721227
CAS DataBase Reference4536-23-6(CAS DataBase Reference)
NIST Chemistry ReferenceHexanoic acid, 2-methyl-(4536-23-6)
EPA Substance Registry SystemHexanoic 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 Information
ProviderLanguage
2-Methylhexanoic acid English
ACROS English
SigmaAldrich English
ALFA English
2-methylhexanoic acid Usage And Synthesis
Description2-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 Properties2-Methylhexanoic acid is a clear colorless to slightly yellow liquid with has a fruity odor.
OccurrenceReported found in baked potato, grape brandy and Virginia tobacco, parmesan cheese, raw and cooked mutton, roasted lamb, cognac and black tea.
PreparationBy catalytic hydrogenation of hexadien-2-carboxylic acid.
Aroma threshold valuesDetection: 920 ppb to 2.7 ppm. Aroma characteristics at 1.0%: acidic sour, dairy fatty with cooked lardlike nuances
Taste threshold valuesTaste characteristics at 40 ppm: dairy, creamy fatty with an oily mouthfeel and waxy nuance.
General Description2-methylhexanoic acid has been identified as one of the volatile flavor compounds in the peel and pulp of doum fruit.
HazardA reproductive hazard.

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