Cyclohexanone, 2,3,6-trimethyl-

Base Information

• Chemical Name: Cyclohexanone, 2,3,6-trimethyl-
• CAS No.: 42185-47-7
• Molecular Formula: C9H16 O
• Molecular Weight: 140.22
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID10962347
• Mol file: 42185-47-7.mol

Synonyms:2,3,6-trimethylcyclohexan-1-one;Cyclohexanone, 2,3,6-trimethyl-;42185-47-7;2,3,6-trimethylcyclohexanone;2,3,6-trimethyl-cyclohexanone;SCHEMBL2343609;DTXSID10962347;MFCD24688844;EN300-731026;A905863

Chemical Property of Cyclohexanone, 2,3,6-trimethyl-

Chemical Property:

• Vapor Pressure: 0.544mmHg at 25°C
• Melting Point: 32.57°C (estimate)
• Refractive Index: 1.4464
• Boiling Point: 190.4°Cat760mmHg
• Flash Point: 61.9°C
• PSA: 17.07000
• Density: 0.86g/cm³
• LogP: 2.25760
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

Cyclohexanone,2,3,6-trimethyl- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C(=O)C1C)C

Technology Process of Cyclohexanone, 2,3,6-trimethyl-

There total 13 articles about Cyclohexanone, 2,3,6-trimethyl- 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:

→ 2,3,6-trimethylcyclohexan-1-one (42185-47-7)

Guidance literature:

With calcium hydroxide; diethyl ether;

Reference yield:

→ 2,3,6-trimethylcyclohexan-1-one (42185-47-7)

Guidance literature:

With methanol; palladium; Hydrogenation;

Reference yield:

D-friedo-ursa-9(11),14-diene-3,12-dione → (2S)-2r,3t,6c-trimethyl-cyclohexanone (42185-47-7,77346-48-6,77346-49-7,77346-50-0,77346-51-1)

Guidance literature:

Multi-step reaction with 2 steps

1: burnt/baked fired clay / 340 °C

With baked fired clay;

DOI:10.1002/hlca.19560390214

upstream raw materials:

3-Methylcyclohexanone

4-methyloct-7-en-3-one

trans-2,3-dimethylcyclohexanone

diethyl ether

Downstream raw materials:

2,3,6-trimethylcyclohexan-1-ol