5-Hexynoic acid
ALDRICH/544000 - 97%
Synonym: 4-Ethynylbutyric acid; 5-Hexyn-1-oic acid
CAS Number: 53293-00-8
Empirical Formula (Hill Notation): C6H8O2
Molecular Weight: 112.13
MDL Number: MFCD00066346
Linear Formula: CH≡C(CH2)3CO2H
Product Type: Chemical
| assay | 97% |
| bp | 224-225 °C (lit.) |
| density | 1.016 g/mL at 25 °C (lit.) |
| functional group | carboxylic acid |
| InChI | 1S/C6H8O2/c1-2-3-4-5-6(7) |
| InChI key | VPFMEXRVUOPYRG-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | OC(=O)CCCC#C |
| Application: | 5-Hexynoic acid may be used in the preparation of: • 5-hexynoic acid methyl ester • 5,6-dicarba-closo-dodecaboranyl hexynoic acid • 5,8,11-dodecatriynoic acid • 5-isocyanato-1-pentyne |
| General description: | 5-Hexynoic acid is an alkynoic acid. It undergoes gold-catalyzed cyclization to form the corresponding methylene lactones. |
| Packaging: | 5, 25 g in glass bottle |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | 230.0 °F - closed cup |
| Flash Point(C) | 110 °C - closed cup |
| Purity | 97% |
| bp | 224-225 °C (lit.) |
| Density | 1.016 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |