1-N-PROPYLCYCLOHEXANOL

The Cyclohexanol, 1-propyl-, with the CAS registry number 5445-24-9, is also known as 1-Hydroxy-1-propylcyclohexane. This chemical's molecular formula is C₉H₁₈O and molecular weight is 142.24. What's more, its IUPAC name is 1-propylcyclohexan-1-ol. It is used as intermediates of liquid crystals. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from light.

Physical properties of Cyclohexanol, 1-propyl- are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.94; (4)ACD/BCF (pH 5.5): 101.78; (5)ACD/KOC (pH 5.5): 952.12; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 9.23 Å²; (10)Index of Refraction: 1.465; (11)Molar Refractivity: 43.12 cm³; (12)Molar Volume: 155.9 cm³; (13)Polarizability: 17.09×10^-24cm³; (14)Surface Tension: 33.5 dyne/cm; (15)Density: 0.912 g/cm³; (16)Flash Point: 76.5 °C; (17)Enthalpy of Vaporization: 50.11 kJ/mol; (18)Boiling Point: 194.4 °C at 760 mmHg; (19)Vapour Pressure: 0.116 mmHg at 25°C.

Preparation: this chemical can be prepared by acrylic acid, 1-Allyl-cyclohexanol at the temperature of 20 °C. This reaction will need reagent H₂ and solvent CH₂Cl₂ with the reaction time of 15 hours. This reaction will also need catalysts ruthenium, PtO₂. The yield is about 50%.

Uses of Cyclohexanol, 1-propyl-: it can be used to produce 5-amino-1-(3-chloro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester at the temperature of 0 °C. This reaction will need reagents Br₂, K₂CO₃ and solvent CHCl₃ with the reaction time of 5 hours. It's a reaction of bromination//retro-barbier fragmentation. The yield is about 89%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC1(CCCCC1)O
(2)InChI: InChI=1S/C9H18O/c1-2-6-9(10)7-4-3-5-8-9/h10H,2-8H2,1H3
(3)InChIKey: PYLPYOPJKOJRNP-UHFFFAOYSA-N