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 | follows IFRA guidelines |
| meets purity specifications of JECFA | |
| application(s) | flavors and fragrances |
| assay | ≥99% |
| biological source | synthetic |
| bp | 217-220 °C (lit.) |
| composition | contains IFRA and 1223/2009 restricted Methyl 2-octynoate |
| 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 |
| fragrance allergen | no known allergens |
| grade | FG |
| Fragrance grade | |
| 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 1223/2009 |
| EU Regulation 1334/2008 & 178/2002 | |
| FCC | |
| FDA 21 CFR 172.515 | |
| SMILES string | CCCCCC#CC(=O)OC |
| Symbol |   GHS07,GHS09 |
| 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 |