5726-19-2

Basic information

• Product Name: 2-Methylcyclohexyl acetate
• Synonyms: 2-METHYLCYCLOHEXYL ACETATE;ACETIC ACID 2-METHYLCYCLOHEXYL ESTER;2-methyl-cyclohexanoacetate;2-Methylcyclohexl Acetate;2-Methylcyclohexanol acetate;(2-methylcyclohexyl) ethanoate;2-Methyl Cyclohexyl Acetate (2MCA);Cyclohexanol,2-Methyl-, 1-acetate
• CAS NO: 5726-19-2
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.22
• EINECS: 227-231-1
• Mol File: 5726-19-2.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 182°C(lit.)
• Flash Point: 66.3 °C
• Appearance: /
• Density: 0.95 g/cm³
• Vapor Pressure: 1.34hPa at 20℃
• Refractive Index: 1.4370-1.4400
• Water Solubility: 440mg/L at 20℃
• CAS DataBase Reference: 2-Methylcyclohexyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Methylcyclohexyl acetate(5726-19-2)
• EPA Substance Registry System: 2-Methylcyclohexyl acetate(5726-19-2)

Safety Data

• Hazardous Substances Data: 5726-19-2(Hazardous Substances Data)

Usage

Flammability and Explosibility

Nonflammable

InChI:InChI=1/C9H16O2/c1-7-5-3-4-6-9(7)11-8(2)10/h7,9H,3-6H2,1-2H3

Synthetic route

2-Methylcyclohexanol (583-59-5) + acetic anhydride (108-24-7) → 2-methylcyclohexyl acetate (5726-19-2)

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

2-Methylcyclohexanol (583-59-5) + acetic acid (64-19-7) → 2-methylcyclohexyl acetate (5726-19-2)

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

acetic acid methyl ester (79-20-9) + 2-Methylcyclohexanol (583-59-5) → 2-methylcyclohexyl acetate (5726-19-2)

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

2-Methylcyclohexanol (583-59-5) + ethyl acetate (141-78-6) → 2-methylcyclohexyl acetate (5726-19-2)

Conditions	Yield
With 1,3-dicyclohexylimidazol-2-ylidene at 25℃; for 0.25h;	47%

(+/-)-trans-2-methylcyclohexanol (7443-52-9) + acetic anhydride (108-24-7) → 2-methylcyclohexyl acetate (5726-19-2)

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

cis-2-methylcyclohexanol (7443-70-1) + acetic anhydride (108-24-7) → 2-methylcyclohexyl acetate (5726-19-2)

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

acetic anhydride (108-24-7) + dl-cis-1-methyl-cyclohexanol-(2) → 2-methylcyclohexyl acetate (5726-19-2)

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

acetyl chloride (75-36-5) + sodium compound of 1-methyl-cyclohexanol-(2) → 2-methylcyclohexyl acetate (5726-19-2)

Isopropenyl acetate (108-22-5) + 2-Methylcyclohexanone (583-60-8) → 2-Methylcyclohexanol (583-59-5) + 2-methylcyclohexyl acetate (5726-19-2)

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

2-methylcyclohexyl acetate (5726-19-2) → (1R,2R)-(-)-trans-2-methylcyclohexanol (19043-03-9)

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

Upstream product

• 583-59-5 2-Methylcyclohexanol 
• 108-24-7 acetic anhydride 
• 7443-52-9 (+/-)-trans-2-methylcyclohexanol 
• 7443-70-1 cis-2-methylcyclohexanol 
• 64-19-7 acetic acid 
• 75-36-5 acetyl chloride 
• 108-22-5 Isopropenyl acetate 
• 583-60-8 2-Methylcyclohexanone 
• 79-20-9 acetic acid methyl ester 
• 141-78-6 ethyl acetate 
• 591-49-1 1-methylcyclohex-1-ene 
• 286-08-8 2,7,7-trimethyltricyclo[4.1.1.0^2,4]octane 

Downstream Products

• 591-49-1 1-methylcyclohex-1-ene 
• 591-48-0 3-methyl-1-cyclohexene 
• 19043-03-9 (1R,2R)-(-)-trans-2-methylcyclohexanol 
• 15963-37-8 trans-2-methylcyclohexanol 
• 152140-96-0 (1S,2S)-(+)-trans-2-methylcyclohexanyl acetate 
• 15288-15-0 (1R,2R)-2-methylcyclohexanol acetate 

Relevant articles and documents

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