1-Octyn-3-ol
- Product Name1-Octyn-3-ol
- CAS818-72-4
- MFC8H14O
- MW126.2
- EINECS212-455-4
- MOL File818-72-4.mol
Chemical Properties
| Melting point | -60 °C |
| Boiling point | 83 °C/19 mmHg (lit.) |
| Density | 0.864 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point | 147 °F |
| storage temp. | Sealed in dry,2-8°C |
| solubility | 3.4g/l |
| pka | 13.41±0.20(Predicted) |
| form | clear liquid |
| color | Colorless to Light yellow to Light orange |
| optical activity | -0.0125° (C=1.0 g/100ml, CHCL3) |
| Water Solubility | 3.4 g/L (20 ºC) |
| BRN | 1098642 |
| InChI | 1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3 |
| InChIKey | VUGRNZHKYVHZSN-UHFFFAOYSA-N |
| SMILES | CCCCCC(O)C#C |
| LogP | 2.090 (est) |
| CAS DataBase Reference | 818-72-4(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38-20/21/22 |
| Safety Statements | 36/37-37/39-26-36 |
| RIDADR | 2810 |
| WGK Germany | 3 |
| RTECS | RI2737000 |
| F | 9-23 |
| TSCA | TSCA listed |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 29052990 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 |
| Toxicity | LD50 orl-mus: 460 mg/kg THERAP 11,692,56 |
