4-(2,2-Dimethyl-6-methylidenecyclohexyl)butan-2-yl acetate

Base Information

• Chemical Name: 4-(2,2-Dimethyl-6-methylidenecyclohexyl)butan-2-yl acetate
• CAS No.: 68479-99-2
• Molecular Formula: C15H26O2
• Molecular Weight: 238.37
• European Community (EC) Number: 270-879-5
• DSSTox Substance ID: DTXSID5052410
• Nikkaji Number: J326.631A
• Mol file: 68479-99-2.mol

Synonyms:68479-99-2;DTXSID5052410;4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-2-yl acetate;EINECS 270-879-5;alpha,2,2-Trimethyl-6-methylene-cyclohexanepropanol, acetate;Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-, acetate;Cyclohexanepropanol, .alpha.,2,2-trimethyl-6-methylene-, acetate;Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-, 1-acetate;Acetic acid [3-(2,2-dimethyl-6-methylenecyclohexyl)-1-methylpropyl] ester

Chemical Property of 4-(2,2-Dimethyl-6-methylidenecyclohexyl)butan-2-yl acetate

Chemical Property:

• Boiling Point: 286°Cat760mmHg
• Flash Point: 84.8°C
• PSA: 26.30000
• Density: 0.92g/cm³
• LogP: 4.10070
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 238.193280068
• Heavy Atom Count: 17
• Complexity: 291

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC1C(=C)CCCC1(C)C)OC(=O)C

Technology Process of 4-(2,2-Dimethyl-6-methylidenecyclohexyl)butan-2-yl acetate

There total 2 articles about 4-(2,2-Dimethyl-6-methylidenecyclohexyl)butan-2-yl acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

4-(6',6'-dimethyl-2'-methylenecyclohexyl)butan-2-ol (13720-13-3) + acetic anhydride (108-24-7) → 2-Acetoxy-4-(2',2'-dimethyl-6'-methyliden-1'-cyclohexyl)butan (68479-99-2)

Guidance literature:

With pyridine;

DOI:10.1002/hlca.19800630116

Reference yield:

3-acetoxy-1-(2,6,6-trimethyl-cyclohex-2-enyl)-butane (3293-45-6) → 2-Acetoxy-4-(2',2'-dimethyl-6'-methyliden-1'-cyclohexyl)butan (68479-99-2)

Guidance literature:

With xylene; In isopropyl alcohol; Irradiation;

DOI:10.1016/S0040-4020(01)91772-7

Reference yield: 98.0%

2-Acetoxy-4-(2',2'-dimethyl-6'-methyliden-1'-cyclohexyl)butan (68479-99-2) → 2-Acetoxy-4-(2',2'-dimethyl-6'-oxo-1'-cyclohexyl)butan

Guidance literature:

With ozone; In dichloromethane; at -78 ℃;

DOI:10.1002/hlca.19800630116

upstream raw materials:

3-acetoxy-1-(2,6,6-trimethyl-cyclohex-2-enyl)-butane

4-(6',6'-dimethyl-2'-methylenecyclohexyl)butan-2-ol

acetic anhydride

Downstream raw materials:

4-(6',6'-dimethyl-2'-trideuteriomethyl-1'-cyclohexen-1'-yl)-2-butanol

4-(6',6'-dimethyl-2'-trideuteriomethyl-1'-cyclohexen-1'-yl)-2-butanon

2-Acetoxy-4-(2'-hydroxy-6',6'-dimethyl-2'-trideuteriomethyl-1'-cyclohexyl)butan

2-Acetoxy-4-(6',6'-dimethyl-2'-trideuteriomethyl-1'-cyclohexen-1'-yl)butan

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