cis-3,3,5-Trimethylcyclohexyl acetate

Base Information

• Chemical Name: cis-3,3,5-Trimethylcyclohexyl acetate
• CAS No.: 24691-16-5
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.279
• Hs Code.: 2915390090
• European Community (EC) Number: 246-416-8
• DSSTox Substance ID: DTXSID10881241
• Nikkaji Number: J281.514A
• Wikidata: Q82862320
• Mol file: 24691-16-5.mol

Synonyms:cis-3,3,5-Trimethylcyclohexyl acetate;24691-16-5;Cyclohexanol, 3,3,5-trimethyl-, acetate, cis-;(1s,5s)-3,3,5-trimethylcyclohexyl acetate;Acetic Acid cis-3,3,5-Trimethylcyclohexyl Ester;Cyclohexanol, 3,3,5-trimethyl-, acetate, (1R,5R)-rel-;Cyclohexanol, 3,3,5-trimethyl-, 1-acetate, (1R,5R)-rel-;EINECS 246-416-8;NSC 23486;SCHEMBL273538;DTXSID10881241;AKOS025294989;A1224;CS-0450089

Chemical Property of cis-3,3,5-Trimethylcyclohexyl acetate

Chemical Property:

• Vapor Pressure: 0.199mmHg at 25°C
• Refractive Index: 1.4380-1.4400
• Boiling Point: 209.8°C at 760 mmHg
• Flash Point: 81.5°C
• PSA: 26.30000
• Density: 0.93g/cm³
• LogP: 2.76430
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

cis-3,3,5-Trimethylcyclohexyl Acetate >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(CC(C1)(C)C)OC(=O)C
• Isomeric SMILES: C[C@@H]1C[C@@H](CC(C1)(C)C)OC(=O)C

Technology Process of cis-3,3,5-Trimethylcyclohexyl acetate

There total 2 articles about cis-3,3,5-Trimethylcyclohexyl 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:

→ (+/-)-trans-5-acetoxy-1.1.3-trimethyl-cyclohexane (24691-16-5,24691-18-7,67859-96-5)

Guidance literature:

/BRN= 3196286/;

Reference yield:

cis-3,3,5-trimethylcyclohexanol (933-48-2) + potassium acetate (127-08-2) + acetic anhydride (108-24-7) → cis-3,3,5-trimethylcyclohexanol acetate (24691-16-5,24691-18-7,67859-96-5)

Guidance literature:

Reference yield:

(+/-)-trans-5-acetoxy-1.1.3-trimethyl-cyclohexane (24691-16-5,24691-18-7,67859-96-5) → trans-3.3.5-Trimethyl-cyclohexyl-aethylaether

Guidance literature:

With lithium aluminium tetrahydride; boron trifluoride diethyl etherate;

DOI:10.1021/jo00833a052

upstream raw materials:

cis-3,3,5-trimethylcyclohexanol

potassium acetate

acetic anhydride