6-Isopropyl-3-methylcyclohexen-1-yl acetate

Base Information

• Chemical Name: 6-Isopropyl-3-methylcyclohexen-1-yl acetate
• CAS No.: 68298-49-7
• Molecular Formula: C12H20O2
• Molecular Weight: 196.29
• European Community (EC) Number: 269-573-4
• DSSTox Substance ID: DTXSID30887321
• Nikkaji Number: J289.153K
• Mol file: 68298-49-7.mol

Synonyms:6-Isopropyl-3-methylcyclohexen-1-yl acetate;68298-49-7;EINECS 269-573-4;1-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, acetate;1-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, 1-acetate;3-Methyl-6-isopropyl-1-cyclohexene-1-ol, acetate;DTXSID30887321;Acetic acid 3-methyl-6-(1-methylethyl)-1-cyclohexen-1-yl ester

Chemical Property of 6-Isopropyl-3-methylcyclohexen-1-yl acetate

Chemical Property:

• Vapor Pressure: 0.00819mmHg at 25°C
• Boiling Point: 267.4°C at 760 mmHg
• Flash Point: 106.1°C
• PSA: 26.30000
• Density: 0.95g/cm³
• LogP: 3.13550
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 196.146329876
• Heavy Atom Count: 14
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C(=C1)OC(=O)C)C(C)C

Technology Process of 6-Isopropyl-3-methylcyclohexen-1-yl acetate

There total 2 articles about 6-Isopropyl-3-methylcyclohexen-1-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: 21.0%

3-Methyl-6-(1-methylethyl)-1-trimethylsilyloxy-1-cyclohexen (72311-09-2,74185-00-5,105367-45-1,105367-46-2,127129-06-0) + acetyl chloride (75-36-5) → p-menthan-2-one (89-80-5,491-07-6,1074-95-9,1196-31-2,3391-87-5,10458-14-7,14073-97-3,18309-28-9,36977-92-1,117773-78-1,17627-49-5,7786-64-3) + 1--1-ethanon (59781-56-5) + (3-Methyl-6-(1-methylethyl)-1-cyclohexen-1-yl)acetat (68298-49-7) + r-2-Acetyl-t-3-methyl-c-6-(1-methylethyl)-1-cyclohexanon (59781-47-4)

Guidance literature:

With titanium tetrachloride; In dichloromethane; 1.) 5 h, -78 degC; 2.) 14 h, -78 to 20 degC;

Reference yield:

→ 6-isopropyl-3-methylcyclohexen-1-yl acetate (68298-49-7)

Guidance literature:

(-)-Menthon, Aceton-enolacetat, H2SO4, Siedetemp. ; neben anderen Verb.;

upstream raw materials:

3-Methyl-6-(1-methylethyl)-1-trimethylsilyloxy-1-cyclohexen

acetyl chloride