Reported in EPA TSCA Inventory.

The 1-Ethynyl-1-cyclohexanol with CAS registry number of 78-27-3 is also known as 1-Ethynyl-1-cyclohexanol. The IUPAC name and product name are tha same. It belongs to product categories of Biphenyl & Diphenyl ether; Acetylenes; Acetylenic Alcohols & Their Derivatives; Alkynes; Organic Building Blocks; Terminal. Its EINECS registry number is 201-100-9. In addition, the formula is C₈H₁₂O and the molecular weight is 124.18. This chemical is a colorless liquid that soluble in water. It may cause inflammation to the skin or other mucous membranes and may cause damage to health. This chemical should be sealed in cool place without light.

Physical properties about 1-Ethynyl-1-cyclohexanol are: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.14; (6)ACD/BCF (pH 7.4): 12.14; (7)ACD/KOC (pH 5.5): 207.77; (8)ACD/KOC (pH 7.4): 207.77; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.493; (13)Molar Refractivity: 36.38 cm³; (14)Molar Volume: 125 cm³; (15)Surface Tension: 39.5 dyne/cm; (16)Density: 0.99 g/cm³; (17)Flash Point: 62.8 °C; (18)Enthalpy of Vaporization: 47.77 kJ/mol; (19)Boiling Point: 174 °C at 760 mmHg; (20)Vapour Pressure: 0.384 mmHg at 25 °C.

Preparation of 1-Ethynyl-1-cyclohexanol. Firstly, passing dry acetylene into liquid ammonia, then adding sodium and dropping cyclohexanone to solution. The reaction is continued for 20 hours until ammonia is evaporated completely. Secondly, adding ice water for residue decomposition and 50% sulfuric acid for acidification. After extraction of the water layer with ether, mixing organic layer and ether extract. At last, collecting distillate at pressure of 18.67kPa to obtain the product when ether has been steamed. The yield is about 65-74%.

Uses of 1-Ethynyl-1-cyclohexanol: it is used to produce 2-(1-ethynyl-cyclohexyloxy)-tetrahydro-pyran by reaction with 3,4-dihydro-2H-pyran. The reaction occurs with catalyst triphenylphosphine hydrobromide and solvent CH₂Cl₂ with other condition of ambient temperature for 23 hours. The yield is about 93%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Furthermore, this chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C#CC1(CCCCC1)O
2. InChI: InChI=1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2
3. InChIKey: QYLFHLNFIHBCPR-UHFFFAOYSA-N

The toxicity data is as follows: