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HomeProduct name listMETHYL 2-OCTYNOATE

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: 2024-08-06 16:32:36
METHYL 2-OCTYNOATE Structural

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

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

The Uses of METHYL 2-OCTYNOATE

Perfumery, flavoring.

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)
ghs
Exclamation Mark
Irritant
GHS07
ghs
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.

Computed Descriptors for METHYL 2-OCTYNOATE

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