5-METHYLHEXANOIC ACID Chemical Properties

Melting point:

-55.77°C (estimate)

Boiling point:

216°C

Density 

0,91 g/cm³

FEMA 

3572 | 5-METHYLHEXANOIC ACID

refractive index 

1.4220

Flash point:

>100°C

form 

liquid

pka

4.78±0.10(Predicted)

Odor

at 10.00 % in propylene glycol. fatty cheese oily fruity

Odor Type

fatty

Water Solubility 

Slightly soluble in water.

JECFA Number

266

InChI

1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

InChIKey

MHPUGCYGQWGLJL-UHFFFAOYSA-N

SMILES

CC(C)CCCC(O)=O

LogP

2.19

CAS DataBase Reference

628-46-6(CAS DataBase Reference)

EPA Substance Registry System

Hexanoic acid, 5-methyl- (628-46-6)

Safety Information

Hazard Codes 

Xi

Risk Statements 

34-41

Safety Statements 

26-36/37/39

RIDADR 

3265

WGK Germany 

WGK 3

RTECS 

MO8400900

TSCA 

TSCA listed

HazardClass 

8

PackingGroup 

II

HS Code 

2915907098

Storage Class

10 - Combustible liquids

Hazard Classifications

Eye Dam. 1

MSDS

• Language:English Provider:ALFA

5-METHYLHEXANOIC ACID Usage And Synthesis

Description

5-Methylhexanoic acid has a fermented cheese odor.

Chemical Properties

5-Methylhexanoic acid has a fermented cheese odor.

Occurrence

Reported found in heated pork, strawberry, tea, mango and babaco fruit (Carica pentagona Heilborn)

Uses

Ion-exclusion chromatographic separations of C1-C6 aliphatic carboxylic acids on a sulfonated styrene-divinylbenzene co-polymer resin column, high sensitive conductimetric detection is achieved with 5-methylhexanoic acid as eluent.

Definition

ChEBI: 5-methyl-hexanoic acid is a medium-chain fatty acid.

Aroma threshold values

Detection: 4.6 to 27 ppm

Hazard

A reproductive hazard.

5-METHYLHEXANOIC ACID(628-46-6)Related Product Information

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• (2R,3S)-3-AMINO-2-HYDROXY-2-(1H-IMIDAZOL-4-YLMETHYL)-5-METHYLHEXANOIC ACID