Methyl 2-octynoate Structure

Methyl 2-octynoate

Chemical Properties

Boiling point 217-220 °C(lit.)
Density  0.92 g/mL at 25 °C(lit.)
vapor pressure  10.6-13.9Pa at 20-25℃
refractive index  n20/D 1.446(lit.)
FEMA  2729 | METHYL 2-OCTYNOATE
FLAVIS Number 09.158 | Methyl 2-octynoate
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
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3
InChIKey FRLZQXRXIKQFNS-UHFFFAOYSA-N
SMILES CCCCCC#CC(=O)OC
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

Symbol(GHS) Exclamation Mark (GHS07)Environment (GHS09)
Signal wordWarning
Hazard statements H317-H410
Precautionary statements P261-P272-P273-P280-P302+P352-P333+P313
Hazard Codes  Xn
Risk Statements  22-38
Safety Statements  26-36
WGK Germany  2
RTECS  RI2735000
TSCA  TSCA listed
HS Code  29161900
Storage Class 10 - Combustible liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 3
Skin Sens. 1A
NFPA 704:
2
0 0

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Methyl 2-octynoate Chemical Properties,Usage,Production

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