2-Methylcyclohexyl acetate supplier

Name
2-Methylcyclohexyl acetate
EINECS 227-231-1
CAS No. 5726-19-2
Article Data21
CAS DataBase
Density 0.95 g/cm³
Solubility 440mg/L at 20℃
Melting Point
Formula C₉H₁₆O₂
Boiling Point 191.7 °C at 760 mmHg
Molecular Weight 156.225
Flash Point 66.3 °C
Transport Information
Appearance clear liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cyclohexanol,2-methyl-, acetate (6CI,7CI,8CI,9CI);o-Methylcyclohexyl acetate;NSC 109144;
PSA 26.30000
LogP 2.12820

Synthetic route

: 583-59-5
2-Methylcyclohexanol

: 108-24-7
acetic anhydride

: 5726-19-2
2-methylcyclohexyl acetate

Conditions

Conditions	Yield
With chloro-trimethyl-silane In acetonitrile for 2h;	91%

: 583-59-5
2-Methylcyclohexanol

: 64-19-7
acetic acid

: 5726-19-2
2-methylcyclohexyl acetate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 100 - 124℃; for 3h; Temperature;	89.8%
With sulfuric acid at 100 - 110℃;

: 79-20-9
acetic acid methyl ester

: 583-59-5
2-Methylcyclohexanol

: 5726-19-2
2-methylcyclohexyl acetate

Conditions

Conditions	Yield
With 1,3-dicyclohexylimidazol-2-ylidene at 25℃; for 0.25h;	67%

: 583-59-5
2-Methylcyclohexanol

: 141-78-6
ethyl acetate

: 5726-19-2
2-methylcyclohexyl acetate

Conditions

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

Conditions	Yield
acetate of dl-trans-1-methyl-cyclohexanol-(2);
acetate of l-trans-1-methyl-cyclohexanol-(2);

: 7443-70-1
cis-2-methylcyclohexanol

: 108-24-7
acetic anhydride

: 5726-19-2
2-methylcyclohexyl acetate

Conditions

Conditions	Yield
acetate of l-cis-1-methyl-cyclohexanol-(2);

: 108-24-7
acetic anhydride

dl-cis-1-methyl-cyclohexanol-(2): dl-cis-1-methyl-cyclohexanol-(2)

: 5726-19-2
2-methylcyclohexyl acetate

Conditions

Conditions	Yield
acetate of dl-cis-1-methyl-cyclohexanol-(2);

: 75-36-5
acetyl chloride

sodium compound of 1-methyl-cyclohexanol-(2): sodium compound of 1-methyl-cyclohexanol-(2)

: 5726-19-2
2-methylcyclohexyl acetate

: 108-22-5
Isopropenyl acetate

: 583-60-8
2-Methylcyclohexanone

A: 583-59-5
2-Methylcyclohexanol

B: 5726-19-2
2-methylcyclohexyl acetate

Conditions

Conditions	Yield
With isopropyl alcohol; gadolinium(III) isopropoxide In tetrahydrofuran at 20℃; for 3h; Acetylation; reduction;

...Expand

: 5726-19-2
2-methylcyclohexyl acetate

: 19043-03-9
(1R,2R)-(-)-trans-2-methylcyclohexanol

Conditions

Conditions	Yield
enzymatic hydrolysis with Bovine Pancreatic Cholesterol Esterase, phosphate buffer, pH=7.1; Yield given;

2-Methylcyclohexyl acetate 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 %.

2-Methylcyclohexyl acetate is prepared by reaction of acetic acid anhydride with 2-methyl-cyclohexanol.

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

Product Name

2-Methylcyclohexyl acetate

Synthetic route

2-Methylcyclohexyl acetate Specification

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