3-METHYL-2-CYCLOHEXEN-1-OL

The 2-Cyclohexen-1-ol,3-methyl-, with the CAS registry number 21378-21-2, is also known as 3-methyl-2-cyclohexen-1-ol. It belongs to the product categories of Alkenes; Cyclic; Organic Building Blocks. Its EINECS number is 244-353-0. This chemical's molecular formula is C₇H₁₂O and molecular weight is 112.17. What's more, its systematic name is 3-methylcyclohex-2-en-1-ol. It should be sealed and stored in a cool and dry place.

Physical properties of 2-Cyclohexen-1-ol,3-methyl- are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.23; (6)ACD/BCF (pH 7.4): 9.23; (7)ACD/KOC (pH 5.5): 170.82; (8)ACD/KOC (pH 7.4): 170.82; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 33.56 cm³; (15)Molar Volume: 114.7 cm³; (16)Polarizability: 13.3×10^-24 cm³; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 0.977 g/cm³; (19)Flash Point: 71.7 °C; (20)Enthalpy of Vaporization: 50.64 kJ/mol; (21)Boiling Point: 199 °C at 760 mmHg; (22)Vapour Pressure: 0.0876 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-methyl-cyclohex-2-enone at the temperature of 28 °C and at the pressure of 6080. This reaction will need reagents H₂, KOH and solvent propan-2-ol with the reaction time of 18 hours. This reaction will also need catalyst RuCl₂<(R)-binap>(dmf)n*(R,R)-1,2-diphenylethylenediamine. The yield is about 99%.

Uses of 2-Cyclohexen-1-ol,3-methyl-: it can be used to produce 1-Methyl-3-vinyloxycyclohexene at the ambient temperature. It will need reagent NaOH and solvent Pd(OAc)₂ with the reaction time of 2 hours. The yield is about 39%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: OC1/C=C(/C)CCC1
(2)InChI: InChI=1/C7H12O/c1-6-3-2-4-7(8)5-6/h5,7-8H,2-4H2,1H3
(3)InChIKey: XNDZQQSKSQTQQD-UHFFFAOYAT