2-Cyclohexylethanol

Reported in EPA TSCA Inventory.

The IUPAC name of this chemical is 2-Cyclohexylethanol. With the CAS registry number 4442-79-9 and EINECS registry number 128.24, it is also named as Cyclohexaneethanol. In addition, the molecular formula is C₈H₁₆O and the molecular weight is 128.21. It is a kind of clear colourless liquid and belongs to the classes of Industrial/Fine Chemicals; Alkohols. What's more, it should be stored in sealed container, and placed in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 2.4; (4)ACD/BCF (pH 5.5): 39.5; (5)ACD/BCF (pH 7.4): 39.5; (6)ACD/KOC (pH 5.5): 483.59; (7)ACD/KOC (pH 7.4): 483.59; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23 Å²; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 38.53 cm³; (14)Molar Volume: 141.5 cm³; (15)Polarizability: 15.27 ×10^-24cm³; (16)Surface Tension: 33.7 dyne/cm; (17)Density: 0.905 g/cm³; (18)Flash Point: 86.7 °C; (19)Enthalpy of Vaporization: 51.68 kJ/mol; (20)Boiling Point: 208 °C at 760 mmHg; (21)Vapour Pressure: 0.0508 mmHg at 25°C.

Preparation of 2-Cyclohexylethanol: it can be prepared by cyclohexyl-acetic acid ethyl ester. This reaction will need reagents NaBH₄ and AlCl₃ and solvent bis-(2-methoxy-ethyl) ether. The reaction time is 2 hours by heating. The yield is about 89%.

Uses of 2-Cyclohexylethanol: it can be used to get (2-bromo-ethyl)-cyclohexane. This reaction will need reagents conc. H₂SO₄ and 48percent HBr. The reaction time is 7 hours by heating. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful in contact with skin and if swallowed. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If it contact with your skin, wash it immediately with plenty of ... (to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: OCCC1CCCCC1
(2)InChI: InChI=1/C8H16O/c9-7-6-8-4-2-1-3-5-8/h8-9H,1-7H2
(3)InChIKey: QJQZRLXDLORINA-UHFFFAOYAK

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	1220mg/kg (1220mg/kg)		Food and Cosmetics Toxicology. Vol. 13, Pg. 785, 1975.
rat	LD50	oral	940mg/kg (940mg/kg)		Food and Cosmetics Toxicology. Vol. 13, Pg. 785, 1975.