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111-12-6

Name METHYL 2-OCTYNOATE
CAS 111-12-6
EINECS(EC#) 203-836-6
Molecular Formula C9H14O2
MDL Number MFCD00009530
Molecular Weight 154.21
MOL File 111-12-6.mol
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Chemical Properties

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
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)
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Safety Data

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.

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