| Identification | More | [Name]
METHYL 2-OCTYNOATE | [CAS]
111-12-6 | [Synonyms]
1-HEPTYNE-1-CARBOXYLIC ACID METHYL ESTER
2-OCTYNOIC ACID METHYL ESTER
FEMA 2729
FOLIONE
HEPTYNE CARBOXYLIC ACID METHYL ESTER
METHYL 1-HEPTYNE-1-CARBOXYLATE
METHYL 2-OCTYNOATE
METHYL HEPTINE CARBONATE
METHYLOCTYNOATE
TIMTEC-BB SBB009081
Methyl 2-octinate
Methyl 2-octynate
Methyl hept-1-yne-1-carboxylate
Methyl heptyne carbonate
methyl2-oct
methyl2-octinate
Methylhept-1-yne-1-carboxylate
methyloct-2-ynoate
methyloct-2-ynoate*
methylpentylacetylenecarboxylate | [EINECS(EC#)]
203-836-6 | [Molecular Formula]
C9H14O2 | [MDL Number]
MFCD00009530 | [Molecular Weight]
154.21 | [MOL File]
111-12-6.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless liquid; strong violet-type odor. Sol-uble in most fixed oils and mineral oil; soluble infive parts of 70% alcohol. Combustible. | [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 | [refractive index ]
n20/D 1.446(lit.)
| [Fp ]
192 °F
| [storage temp. ]
2-8°C | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
neat | [color ]
Clear Colourless | [Odor]
at 1.00 % in dipropylene glycol. green leafy waxy violet cucumber | [biological source]
synthetic | [Odor Type]
green | [JECFA Number]
1357 | [BRN ]
1756887 | [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 | [LogP]
3 at 20℃ and pH7 | [Uses]
Perfumery, flavoring. | [CAS DataBase Reference]
111-12-6(CAS DataBase Reference) | [EPA Substance Registry System]
2-Octynoic acid, methyl ester (111-12-6) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R22:Harmful if swallowed.
R38:Irritating to the skin. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
2
| [RTECS ]
RI2735000
| [TSCA ]
Yes | [HS Code ]
29161900 | [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. |
| Questions And Answer | Back Directory | [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. |
| Hazard Information | Back Directory | [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). | [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). |
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