Methyl 2-octynoate
ALDRICH/W272906 - ≥99%, stabilized, FCC, FG
Synonym: Methyl heptine carbonate; NSC 72098
CAS Number: 111-12-6
Empirical Formula (Hill Notation): C9H14O2
Molecular Weight: 154.21
EC Number: 203-836-6
MDL Number: MFCD00009530
Linear Formula: CH3(CH2)4C≡CCO2CH3
Product Type: Chemical
agency | meets purity specifications of JECFA |
application(s) | flavors and fragrances |
assay | ≥99% |
biological source | synthetic |
bp | 217-220 °C (lit.) |
contains | α-tocopherol, synthetic as stabilizer |
density | 0.92 g/mL at 25 °C (lit.) |
documentation | see Safety & Documentation for available documents |
food allergen | no known allergens |
grade | FG |
Halal | |
Kosher | |
InChI | 1S/C9H14O2/c1-3-4-5-6-7-8 |
InChI key | FRLZQXRXIKQFNS-UHFFFAOYSA |
organoleptic | green; vegetable; violet |
Quality Level | 400 ![]() |
refractive index | n |
reg. compliance | EU Regulation 1334/2008 & 178/2002 |
FCC | |
FDA 21 CFR 172.515 | |
SMILES string | CCCCCC#CC(=O)OC |
Symbol | ![]() ![]() |
Signal word | Warning |
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 | WGK 2 |
Flash Point(F) | 192.2 °F - closed cup |
Flash Point(C) | 89 °C - closed cup |
Purity | ≥99% |
bp | 217-220 °C (lit.) |
Density | 0.92 g/mL at 25 °C (lit.) |
Refractive Index | n |
FEMA Number | 2729 |
UNSPSC | 12164502 |