Methylcyclohexane

The Methylcyclohexane, with the CAS registry number 108-87-2 and EINECS registry number 203-624-3, is also called methyl-cyclohexane. It is a colourless liquid with a faint benzene-like odour, and it belongs to the following product categories: Cyclic Compounds; Analytical Chemistry; Solvents for HPLC & Spectrophotometry; Solvents for Spectrophotometry; HPLC Solvents. And the molecular formula of the chemical is C₇H₁₄. What's more, it is always used in organic synthesis and as a solvent for cellulose ethers. And it is a component of jet fuel and is also a component of correction fluids.

The physical properties of Methylcyclohexane are as followings: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.698; (4)ACD/LogD (pH 7.4): 3.698; (5)ACD/BCF (pH 5.5): 380.743; (6)ACD/BCF (pH 7.4): 380.743; (7)ACD/KOC (pH 5.5): 2448.053; (8)ACD/KOC (pH 7.4): 2448.053; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 32.378 cm³; (15)Molar Volume: 126.446 cm³; (16)Polarizability: 12.836×10^-24cm³; (17)Surface Tension: 23.901 dyne/cm; (18)Density: 0.777 g/cm³; (19)Enthalpy of Vaporization: 31.27 kJ/mol; (20)Boiling Point: 101.135 °C at 760 mmHg; (21)Vapour Pressure: 41.067 mmHg at 25°C.

Preparation and uses of Methylcyclohexane: It can be propared by toluene and hydrogen with temperaure of 150°C and 11MPa. And it is alway used as solvents and analytical reagents.

You should be cautious while dealing with this chemical. It is a kind of highly flammble chemical which irritates to skin. It is toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. It may also cause lung damage if swallowed, its vapors may cause drowsiness and dizziness. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Take precautionary measures against static discharges; Avoid release to the environment. Refer to special instructions safety data sheet; If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label; Keep container in a well-ventilated place.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1CCCCC1
(2)InChI: InChI=1/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
(3)InChIKey: UAEPNZWRGJTJPN-UHFFFAOYAG

The toxicity data is as follows: