1-Ethynyl-1-cyclohexanol
- Product Name1-Ethynyl-1-cyclohexanol
- CAS78-27-3
- MFC8H12O
- MW124.18
- EINECS201-100-9
- MOL File78-27-3.mol
Chemical Properties
| Melting point | 30-33 °C(lit.) |
| Boiling point | 180 °C(lit.) |
| Density | 0.967 g/mL at 25 °C(lit.) |
| vapor pressure | <1 mm Hg ( 20 °C) |
| refractive index | 1.481-1.484 |
| Flash point | 163 °F |
| storage temp. | Store below +30°C. |
| solubility | 10 g/L (20°C) |
| form | Liquid After Melting |
| pka | 13.34±0.20(Predicted) |
| color | Clear colorless to light yellow |
| PH | 7 (1g/l, H2O, 20℃) |
| explosive limit | 1.3-8.7%(V) |
| Water Solubility | 10 g/L (20 ºC) |
| BRN | 471404 |
| InChI | 1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2 |
| InChIKey | QYLFHLNFIHBCPR-UHFFFAOYSA-N |
| SMILES | OC1(CCCCC1)C#C |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 21/22-36-36/37/38-20/21/22-36/38 |
| Safety Statements | 36/37-36/37/39-26-36-22 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 1 |
| RTECS | GV9100000 |
| Autoignition Temperature | 365 °C |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29061900 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 |
| Toxicity | LD50 orally in Rabbit: 583 mg/kg LD50 dermal Rabbit 973 mg/kg |
