4-Methyloctanoic acid Chemical Properties

Melting point:

-29.5°C (estimate)

Boiling point:

149 °C22 mm Hg(lit.)

Density 

0.91 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.433(lit.)

FEMA 

3575 | 4-METHYLOCTANOIC ACID

Flash point:

>230 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

Chloroform (Slightly), DMSO (Sparingly), Ethyl Acetate (Slightly)

pka

4.78±0.10(Predicted)

form 

clear liquid

color 

Colorless to Light yellow to Light orange

Odor

at 10.00 % in propylene glycol. fatty waxy musty plastic dairy creamy milk

Odor Type

fatty

JECFA Number

271

BRN 

1755426

InChIKey

LEGGANXCVQPIAI-UHFFFAOYSA-N

LogP

3.25

CAS DataBase Reference

54947-74-9(CAS DataBase Reference)

NIST Chemistry Reference

4-Methyloctanoic acid(54947-74-9)

EPA Substance Registry System

4-Methyloctanoic acid (54947-74-9)

Safety Information

Hazard Codes 

C,Xi,Xn

Risk Statements 

34-36/37/38-21/22

Safety Statements 

26-36/37/39-45

RIDADR 

UN 3265 8/PG 3

WGK Germany 

1

TSCA 

Yes

HS Code 

2915 90 70

HazardClass 

8

PackingGroup 

III

MSDS

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4-Methyloctanoic acid Usage And Synthesis

Description

4-Methyloctanoic acid, also known as Hircinoic Acid, presents as a colorless to pale-yellow oil. It is slightly soluble in chloroform, DMSO and ethyl acetate. Store in a tightly closed container in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. This substance is stable under recommended storage conditions. 4-Methyloctanoic Acid is incompatible with strong oxidizing agents as well as strong bases. This chemical causes severe skin burns and eye damage.

Chemical Properties

4-Methyloctanoic acid has a fatty, musty, plastic odor. This compound is also reported to have a goat, costus, mutton odor

Physical properties

4-Methyloctanoic acid is one of the acids mainly responsible for the so-called "soo" odour of mutton. The analogue 4-Ethyloctanoic acid (found in Virginia tobacco and Costus root oil) also has a related goaty odor; this analog has the lowest threshold of all the fatty acids at 1.8 ppb. 4-Methyloctanoic acid is used in flavours for cheese, meat, tobacco and (possibly) fish. Normal use levels in finished consumer product: up to 3 ppm.

Occurrence

Reported found in cooked mutton fat, raw and cooked mutton, lamb, and blue, cheddar, parmesan, provolone and romano cheeses

Uses

Hircinoic Acid, can be used as flavors and fragrance additive. It is also a building block use din sythesis of various chemical compounds such as, rac-Mono-(4-methyloctanyl)-phthalate (M566530).

Definition

ChEBI: 4-methyl-octanoic acid is a medium-chain fatty acid.

Aroma threshold values

Aroma characteristics at 1.0% in PG: waxy, fatty, meaty, reheated beef-like with a slightly lactonic cheesy nuance

Taste threshold values

Taste characteristics at 10 ppm: fatty, waxy, creamy and lactonic with a satiating fatty mouthfeel and metallic nuances.

General Description

4-Methyloctanoic acid is a branched fatty acid commonly used in the flavor and fragrance industries. This compound gives sweaty and goaty flavors to the mutton meat and goat′s milk cheese, respectively.

Biochem/physiol Actions

Taste at 10 ppm

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