1-Methyl-4-(1-methylethylidene)cyclohexyl propionate

Base Information

• Chemical Name: 1-Methyl-4-(1-methylethylidene)cyclohexyl propionate
• CAS No.: 72596-22-6
• Molecular Formula: C₁₃H₂₂O₂
• Molecular Weight: 210.316
• European Community (EC) Number: 276-729-5
• UNII: GHA147436W
• DSSTox Substance ID: DTXSID30993456
• Nikkaji Number: J296.328K
• Mol file: 72596-22-6.mol

Synonyms:72596-22-6;gamma-Terpinyl propionate;1-Methyl-4-(1-methylethylidene)cyclohexyl propionate;UNII-GHA147436W;GHA147436W;EINECS 276-729-5;DTXSID30993456;AAGPAPGSTAMBHM-UHFFFAOYSA-N;.GAMMA.-TERPINYL PROPIONATE;FEMA NO. 3053, .GAMMA.-;(+/-)-.GAMMA.-TERPINYL PROPIONATE;NS00064186;Q27279107;1-METHYL-4-(PROPAN-2-YLIDENE)CYCLOHEXYL PROPANOATE;Cyclohexanol, 1-methyl-4-(1-methylethylidene)-, propanoate;CYCLOHEXANOL, 1-METHYL-4-(1-METHYLETHYLIDENE)-, 1-PROPANOATE

Chemical Property of 1-Methyl-4-(1-methylethylidene)cyclohexyl propionate

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• Refractive Index: 1.467
• Boiling Point: 259.4 °C at 760 mmHg
• Flash Point: 102.4 °C
• PSA: 26.30000
• Density: 0.95 g/cm³
• LogP: 3.60870
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 210.161979940
• Heavy Atom Count: 15
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OC1(CCC(=C(C)C)CC1)C

Technology Process of 1-Methyl-4-(1-methylethylidene)cyclohexyl propionate

There total 2 articles about 1-Methyl-4-(1-methylethylidene)cyclohexyl propionate 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:

cis-1,8-terpine (565-48-0,89923-77-3) → Propionic acid 4-isopropylidene-1-methyl-cyclohexyl ester (72596-22-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / Na₂CO₃ / toluene / 26 h / Heating

2: (C₂H₅CO)20/C₂H₅COONa / 17 h / Heating

With sodium proprionate; sodium carbonate; propionic acid anhydride; In toluene;

Reference yield:

Propionic acid 1-methyl-1-(4-methyl-4-propionyloxy-cyclohexyl)-ethyl ester → Propionic acid 1-methyl-1-(4-methylene-cyclohexyl)-ethyl ester + Propionic acid 4-isopropylidene-1-methyl-cyclohexyl ester (72596-22-6) + Propionic acid 4-isopropenyl-1-methyl-cyclohexyl ester (97552-70-0) + Propionic acid 4-isopropenyl-1-methyl-cyclohexyl ester (97552-70-0)

Guidance literature:

With sodium proprionate; propionic acid anhydride; for 17h; Yield given. Further byproducts given. Yields of byproduct given; Heating;

upstream raw materials:

cis-1,8-terpine

Refernces