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| CAS No.: | 5726-19-2 |
|---|---|
| Name: | 2-Methylcyclohexyl acetate |
| Article Data: | 21 |
| Molecular Structure: | |
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|
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| Formula: | C9H16O2 |
| Molecular Weight: | 156.225 |
| Synonyms: | Cyclohexanol,2-methyl-, acetate (6CI,7CI,8CI,9CI);o-Methylcyclohexyl acetate;NSC 109144; |
| EINECS: | 227-231-1 |
| Density: | 0.95 g/cm3 |
| Boiling Point: | 191.7 °C at 760 mmHg |
| Flash Point: | 66.3 °C |
| Solubility: | 440mg/L at 20℃ |
| Appearance: | clear liquid |
| PSA: | 26.30000 |
| LogP: | 2.12820 |
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| Conditions | Yield |
|---|---|
| With chloro-trimethyl-silane In acetonitrile for 2h; | 91% |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid at 100 - 124℃; for 3h; Temperature; | 89.8% |
| With sulfuric acid at 100 - 110℃; |
| Conditions | Yield |
|---|---|
| With 1,3-dicyclohexylimidazol-2-ylidene at 25℃; for 0.25h; | 67% |
| Conditions | Yield |
|---|---|
| With 1,3-dicyclohexylimidazol-2-ylidene at 25℃; for 0.25h; | 47% |
- 7443-52-9
(+/-)-trans-2-methylcyclohexanol
- 108-24-7
acetic anhydride
- 5726-19-2
2-methylcyclohexyl acetate
| Conditions | Yield |
|---|---|
| acetate of dl-trans-1-methyl-cyclohexanol-(2); | |
| acetate of l-trans-1-methyl-cyclohexanol-(2); |
| Conditions | Yield |
|---|---|
| acetate of l-cis-1-methyl-cyclohexanol-(2); |
| Conditions | Yield |
|---|---|
| acetate of dl-cis-1-methyl-cyclohexanol-(2); |
- 108-22-5
Isopropenyl acetate
- 583-60-8
2-Methylcyclohexanone
A
- 583-59-5
2-Methylcyclohexanol
B
- 5726-19-2
2-methylcyclohexyl acetate
| Conditions | Yield |
|---|---|
| With isopropyl alcohol; gadolinium(III) isopropoxide In tetrahydrofuran at 20℃; for 3h; Acetylation; reduction; |
- 5726-19-2
2-methylcyclohexyl acetate
- 19043-03-9
(1R,2R)-(-)-trans-2-methylcyclohexanol
| Conditions | Yield |
|---|---|
| enzymatic hydrolysis with Bovine Pancreatic Cholesterol Esterase, phosphate buffer, pH=7.1; Yield given; |
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Specification
The 2-Methylcyclohexyl acetate with CAS registry number of 5726-19-2 is also known as Cyclohexanol,2-methyl-, 1-acetate. The IUPAC name and product name are the same. Its EINECS registry number is 227-231-1. In addition, the formula is C9H16O2 and the molecular weight is 156.22.
Physical properties about 2-Methylcyclohexyl acetate are: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 69.79; (6)ACD/BCF (pH 7.4): 69.79; (7)ACD/KOC (pH 5.5): 726.76; (8)ACD/KOC (pH 7.4): 726.76; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.444; (12)Molar Refractivity: 43.48 cm3; (13)Molar Volume: 163.4 cm3; (14)Surface Tension: 29.9 dyne/cm; (15)Density: 0.95 g/cm3; (16)Flash Point: 66.3 °C; (17)Enthalpy of Vaporization: 42.79 kJ/mol; (18)Boiling Point: 191.7 °C at 760 mmHg; (19)Vapour Pressure: 0.508 mmHg at 25 °C.
Preparation of 2-Methylcyclohexyl acetate: it is prepared by reaction of acetic acid anhydride with 2-methyl-cyclohexanol. The reaction needs reagent chlorotrimethylsilane and solvent acetonitrile for 2 hours. The yield is about 91 %.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1CCCCC1OC(=O)C
2. InChI: InChI=1S/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3
3. InChIKey: AKIIJALHGMKJEJ-UHFFFAOYSA-N