METHYL 2-OCTYNOATE

Synonym(s):Methyl heptine carbonate;NSC 72098

CAS NO.：111-12-6
Empirical Formula: C9H14O2
Molecular Weight: 154.21
MDL number: MFCD00009530
EINECS: 203-836-6
SAFETY DATA SHEET (SDS)
Update Date: 2024-11-15 19:19:13

What is METHYL 2-OCTYNOATE?

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

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

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).

The Uses of METHYL 2-OCTYNOATE

Perfumery, flavoring.

The Uses of METHYL 2-OCTYNOATE

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.

Properties of METHYL 2-OCTYNOATE

Boiling point:	217-220 °C(lit.)
Density	0.92 g/mL at 25 °C(lit.)
vapor pressure	10.6-13.9Pa at 20-25℃
FEMA	2729 \| METHYL 2-OCTYNOATE
refractive index	n20/D 1.446(lit.)
Flash point:	192 °F
storage temp.	-20°C
solubility	Chloroform (Slightly), Methanol (Slightly)
form	neat
form	Liquid
color	Clear Colourless
Odor	at 1.00 % in dipropylene glycol. green leafy waxy violet cucumber
JECFA Number	1357
BRN	1756887
CAS DataBase Reference	111-12-6(CAS DataBase Reference)
EPA Substance Registry System	2-Octynoic acid, methyl ester (111-12-6)

Safety information for METHYL 2-OCTYNOATE

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07 Environment GHS09
GHS Hazard Statements	H317:Sensitisation, Skin H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.