1-Ethynylcyclohexanol
1-Ethynyl-1-cyclohexanol
CAS: 78-27-3;28652-54-2
Molecular Formula: C8H12O
1-Ethynylcyclohexanol - Names and Identifiers
| Name | 1-Ethynyl-1-cyclohexanol |
| Synonyms | TIMTEC-BB SBB008829 1-Ethynylcyclohexanol 1-ETHYNYLCYCLOHEXANOL 1-ethynylcyclohexanol ethynylcyclohexan-1-ol 1-ETHYNYL-1-CYCLOHEXANOL 1-Ethynyl-1-cyclohexanol 1-Ethynylcyclohexan-1-ol 1-ethvnvl-1-cvclohexanol 1-ETHINYL-1-CYCLOHEXANOL (1-Hydroxycyclohexyl)ethyne Cyclohexyl ethynyl carbinol 1-Ethynyl-1-hydroxycyclohexane |
| CAS | 78-27-3 28652-54-2 |
| EINECS | 201-100-9 |
| InChI | InChI=1/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2 |
| InChIKey | QYLFHLNFIHBCPR-UHFFFAOYSA-N |
1-Ethynylcyclohexanol - Physico-chemical Properties
| Molecular Formula | C8H12O |
| Molar Mass | 124.18 |
| Density | 0.967g/mLat 25°C(lit.) |
| Melting Point | 30-33°C(lit.) |
| Boling Point | 180°C(lit.) |
| Flash Point | 163°F |
| Water Solubility | 10 g/L (20 ºC) |
| Solubility | 10 g/L (20°C) |
| Vapor Presure | <1 mm Hg ( 20 °C) |
| Appearance | White crystal |
| Color | Clear colorless to light yellow |
| BRN | 471404 |
| pKa | 13.34±0.20(Predicted) |
| PH | 7 (1g/l, H2O, 20℃) |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1.3-8.7%(V) |
| Refractive Index | 1.481-1.484 |
| MDL | MFCD00003858 |
| Physical and Chemical Properties | Density 0.9763 melting point 30-32°C boiling point 180°C ND20 1.481-1.483 flash point 73°C water-soluble 10g/L (20°C) |
1-Ethynylcyclohexanol - Risk and Safety
| Risk Codes | R21/22 - Harmful in contact with skin and if swallowed. R36 - Irritating to the eyes R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/38 - Irritating to eyes and skin. |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S22 - Do not breathe dust. |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 1 |
| RTECS | GV9100000 |
| TSCA | Yes |
| HS Code | 29061900 |
| Hazard Class | 6.1 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 583 mg/kg LD50 dermal Rabbit 973 mg/kg |
1-Ethynylcyclohexanol - Reference Information
| LogP | 1.49 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| acetylene cyclohexanol | acetylene cyclohexanol is an important intermediate, medium and high temperature is colorless transparent liquid, low temperature is white crystal, soluble in alcohol, ether, benzene and other organic solvents, water-soluble 10g/L(20 ℃), widely used in organic synthesis reaction, medicine, pesticide field, can also be used as stabilizer, inhibitor, inhibitor, corrosion inhibitors, etc. acetylene cyclohexanol is used in silicone or elastomeric sealing or plugging in oil or gas wells as a polymerization inhibitor to prevent the silicone composition from curing on the way to a predetermined location. acetylene cyclohexanol has the property of an alcohol, and can be used as a nucleophile to react with an acid anhydride, an acid chloride, an alkyl halide, or the like to form an ether or an ester. The alkynyl cyclohexanol has the properties of an alkyne, and can be added with halogen, hydrogen halide, water and the like; It can also form a metal alkyne, which is widely used. The addition of acetylene cyclohexanol in the corrosive medium can significantly reduce the corrosion rate of metals. It can be used alone as a corrosion inhibitor, and can also be compounded with substances that produce synergistic effects to obtain higher corrosion inhibition efficiency. Often with amine corrosion inhibitor and potassium iodide, copper iodide compound use, can be used for 200~260 ℃ temperature range. |
| Use | for organic synthesis. stabilizers for the production of silicone rubber. |
| production method | dry acetylene was introduced into liquid ammonia while sodium was added and cyclohexanone was added dropwise. Upon completion of the addition, the reaction mixture was left for 20h to volatilize the ammonia. The solid residue in the mixture was decomposed by addition of ice-water and then acidified with 50% sulfuric acid. The organic layer was extracted with diethyl ether, the organic layer was mixed with the diethyl ether extract, the diethyl ether was distilled off under reduced pressure, and the (18.67kPa) fraction was collected to obtain 1-ethynyl-1-cyclohexanol, the yield was 65-74%. |
| autoignition temperature | 365°C |
Last Update：2024-04-09 20:44:15
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