ChemicalBook > CAS DataBase List > METHYL 2-OCTYNOATE

METHYL 2-OCTYNOATE

Description References

METHYL 2-OCTYNOATE

CAS No.111-12-6
Chemical Name:METHYL 2-OCTYNOATE
CBNumber:CB4471961
Molecular Formula:C9H14O2
Formula Weight:154.21
MOL File:111-12-6.mol

METHYL 2-OCTYNOATE Property

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 Liquid
color Clear Colourless
Odor at 1.00 % in dipropylene glycol. green leafy waxy violet cucumber
Odor Type green
biological source synthetic
JECFA Number 1357
BRN 1756887
LogP 3 at 20℃ and pH7
CAS DataBase Reference 111-12-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) METHYL 2-OCTYNOATE
EWG's Food Scores 2-5
FDA UNII 0TTP6YT2T3
EPA Substance Registry System 2-Octynoic acid, methyl ester (111-12-6)
UNSPSC Code 85151701
NACRES NA.24

Safety

Hazard Codes :Xn
Risk Statements :22-38
Safety Statements :26-36
WGK Germany :2
RTECS :RI2735000
TSCA :Yes
HS Code :29161900

NFPA 704:

	2
0		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H317-H410
Precautionary statements P261-P272-P273-P280-P302+P352-P333+P313

METHYL 2-OCTYNOATE Price More Price(9)

Brand: Sigma-Aldrich(India)
Product number: W272906
Product name : Methyl 2-octynoate
Purity: ≥99%, stabilized, FCC, FG
Packaging: 1SAMPLE-K
Price: ₹5141.88
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W272906
Product name : Methyl 2-octynoate
Purity: ≥99%, stabilized, FCC, FG
Packaging: 100G
Price: ₹6971.3
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W272906
Product name : Methyl 2-octynoate
Purity: ≥99%, stabilized, FCC, FG
Packaging: 1KG
Price: ₹37259.65
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: W272906
Product name : Methyl 2-octynoate
Purity: ≥99%, stabilized, FCC, FG
Packaging: 5KG
Price: ₹192706.65
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: 68982
Product name : Methyl 2-octynoate
Purity: analytical standard
Packaging: 1ML
Price: ₹9883.23
Updated: 2022/06/14
Buy: Buy

METHYL 2-OCTYNOATE Chemical Properties,Usage,Production

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 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).
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.
Definition ChEBI: Methyl 2-octynoate is a fatty acid ester.
Preparation From heptaldehyde via heptyne and heptyne carboxylic acid; the acid is subsequently
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.