TETRAHYDROIONOL

The Cyclohexanepropanol, a,2,2,6-tetramethyl-, with the CAS registry number 4361-23-3, is also known as 2-Butanol,4-(2,2,6-trimethylcyclohexyl)- (8CI) and Tetrahydroionol. Its EINECS registry number is 224-445-7. This chemical's molecular formula is C₁₃H₂₆O and molecular weight is 198.3449. What's more, both its IUPAC name and systematic name are the same which is called 4-(2,2,6-Trimethylcyclohexyl)butan-2-ol.

Physical properties about Cyclohexanepropanol, a,2,2,6-tetramethyl- are: (1) ACD/LogP: 4.81; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.81; (4) ACD/LogD (pH 7.4): 4.81; (5) ACD/BCF (pH 5.5): 2651.31; (6) ACD/BCF (pH 7.4): 2651.31; (7) ACD/KOC (pH 5.5): 9819.94; (8) ACD/KOC (pH 7.4): 9819.94; (9) #H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 4; (12) Polar Surface Area: 9.23 Å²; (13) Index of Refraction: 1.442; (14) Molar Refractivity: 61.78 cm³; (15) Molar Volume: 233.3 cm³; (16) Polarizability: 24.49×10^-24 cm³; (17) Surface Tension: 28.7 dyne/cm; (18) Density: 0.85 g/cm³; (19) Flash Point: 108.8 °C; (20) Enthalpy of Vaporization: 56.61 kJ/mol; (21) Boiling Point: 250 °C at 760 mmHg; (22) Vapour Pressure: 0.00355 mmHg at 25 °C.

Preparation of Cyclohexanepropanol, a,2,2,6-tetramethyl-: this chemical is prepared by 4t-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one. This reaction needs reagent H₂ and solvent Ni-Cr₂O₃ at temperature of 22 °C. The reaction time is 1 hours. The yield is 62.4 %. And the reaction equation is as followed:

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(C)CCC1C(CCCC1(C)C)C
(2) InChI: InChI=1/C13H26O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10-12,14H,5-9H2,1-4H3
(3) InChIKey: UZWOWEPOVKVMEL-UHFFFAOYAI