Methyl 2-octynoate
ALDRICH/277509 - 99%
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
| assay | 99% |
| bp | 217-220 °C (lit.) |
| density | 0.92 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | ester |
| InChI | 1S/C9H14O2/c1-3-4-5-6-7-8 |
| InChI key | FRLZQXRXIKQFNS-UHFFFAOYSA |
| Quality Level | 100 ![]() |
| refractive index | n |
| SMILES string | CCCCCC#CC(=O)OC |
| 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. |
| Packaging: | 25 mL in glass bottle |
| 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 |
| 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 |
| UNSPSC | 12352100 |



