METHYL 2-OCTYNOATE Chemical Properties

Boiling point:

217-220 °C(lit.)

Density 

0.92 g/mL at 25 °C(lit.)

vapor pressure 

10.6-13.9Pa at 20-25℃

refractive index 

n20/D 1.446(lit.)

FEMA 

2729 | METHYL 2-OCTYNOATE

Flash point:

192 °F

storage temp. 

-20°C

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Liquid

color 

Clear Colourless

Odor

at 1.00 % in dipropylene glycol. green leafy waxy violet cucumber

Odor Type

green

JECFA Number

1357

BRN 

1756887

LogP

3 at 20℃ and pH7

CAS DataBase Reference

111-12-6(CAS DataBase Reference)

EPA Substance Registry System

2-Octynoic acid, methyl ester (111-12-6)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-38

Safety Statements 

26-36

WGK Germany 

2

RTECS 

RI2735000

TSCA 

Yes

HS Code 

29161900

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

METHYL 2-OCTYNOATE Usage And Synthesis

Description

Methyl 2-octynoate (also known as methyl 2-caprylate) is a kind of fatty acid ester formed by the esterfication between methanol and 2 -octynoate. It is a kind of useful flavor and fragrance agent.

References

Barbieri, Germana, et al. "Flavor compounds of dry-cured ham." Journal of Agricultural and Food Chemistry 40.12 (1992): 2389 -2394.
Maga, Joseph A. "Egg and egg product flavor." Journal of Agricultural and Food Chemistry 30.1 (1982): 9-14.

Description

Methyl 2-octynoate has an odor similar to violets on dilution, and if concentrated, a powerful and unpleasant odor. It has a wineberry flavor (muscatel). It may be prepared from heptaldehyde via heptyne and heptyne carboxylic acid; the acid is subsequently esterified.

Chemical Properties

Methyl-2-octynoate has an odor similar to violets on dilution. If concentrated, it has a powerful and unpleasant odor. This compound has a wine-berry flavor (muscatel).

Chemical Properties

Colorless liquid; strong violet-type odor. Sol-uble in most fixed oils and mineral oil; soluble infive parts of 70% alcohol. Combustible.

Uses

Perfumery, flavoring.

Uses

Methyl 2-octynoate may be used as a fragrance allergen standard for the quantification of the analyte in cosmetics using chromatography techniques.

Preparation

From heptaldehyde via heptyne and heptyne carboxylic acid; the acid is subsequently

Definition

ChEBI: Methyl 2-octynoate is a fatty acid ester.

Aroma threshold values

Detection: 25 ppb

Taste threshold values

Taste characteristics at 15.0 ppm: green, vegetative, fatty, fruity, rindy, melon and cucumber with mushroom and dairy nuances

General Description

Methyl 2-octynoate has been quantitated as suspected allergen in cosmetic products by headspace-programmed temperature vaporization-fast gas chromatography-quadrupole mass spectrometry. It participates in nickel-catalyzed carbocyclization of 2-iodoacetophenone to yield a 2,3-disubstituted indenol.

Trade name

Folione® (Givaudan).

Contact allergens

This perfumed molecule belongs to the list of 26 allergens that have to be indicated by name on the ingredients list of cosmetics in the EU

Safety Profile

Moderately toxic by ingestion and skin contact. A moderate skin and eye irritant. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.

METHYL 2-OCTYNOATE(111-12-6)Related Product Information

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• AKOS 90720