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3-Methyl-2-cyclohexen-1-ol

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Name

3-Methyl-2-cyclohexen-1-ol

EINECS 244-353-0
CAS No. 21378-21-2 Density 0.977 g/cm3
PSA 20.23000 LogP 1.47750
Solubility N/A Melting Point N/A
Formula C7H12O Boiling Point 199 °C at 760 mmHg
Molecular Weight 112.172 Flash Point 71.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 21378-21-2 (3-METHYL-2-CYCLOHEXEN-1-OL) Hazard Symbols N/A
Synonyms

(?à)-3-Hydroxy-1-methylcyclohexene;(?à)-3-Methyl-2-cyclohexen-1-ol;(?à)-Seudenol;1-Methyl-1-cyclohexen-3-ol;3-Hydroxy-1-methylcyclohexene;3-Methyl-2-cyclohexen-1-ol;3-Methyl-2-cyclohexenol;NSC 174669;Seudenol;

Article Data 92

3-Methyl-2-cyclohexen-1-ol Specification

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%.

2-Cyclohexen-1-ol,3-methyl- can be prepared by 3-methyl-cyclohex-2-enone

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%.

ethoxyethene and 2-Cyclohexen-1-ol,3-methyl- can be used to produce 1-Methyl-3-vinyloxycyclohexene

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

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