3-Methyl-5-(propan-2-yl)cyclohexan-1-one

Base Information

• Chemical Name: 3-Methyl-5-(propan-2-yl)cyclohexan-1-one
• CAS No.: 518034-59-8
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.252
• Hs Code.: 2914299000
• NSC Number: 21129
• DSSTox Substance ID: DTXSID90281285
• Mol file: 518034-59-8.mol

Synonyms:518034-59-8;NSC21129;3-Methyl-5-(propan-2-yl)cyclohexan-1-one;SCHEMBL4705097;DTXSID90281285;NSC-21129;Cyclohexanone, 3-methyl-5-(1-methylethyl)-

Chemical Property of 3-Methyl-5-(propan-2-yl)cyclohexan-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 2.64770
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(CC(=O)C1)C(C)C

Technology Process of 3-Methyl-5-(propan-2-yl)cyclohexan-1-one

There total 3 articles about 3-Methyl-5-(propan-2-yl)cyclohexan-1-one 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:

→ 3-isopropyl-5-methycyclohexanone (518034-59-8)

Guidance literature:

With methanol; palladium on activated charcoal; Hydrogenation;

DOI:10.1002/ardp.19352732507

Reference yield:

3-methyl-5-(1-methylethyl)-2-cyclohexen-1-one (28587-71-5,112710-42-6,535-86-4) → 3-isopropyl-5-methycyclohexanone (518034-59-8)

Guidance literature:

With acetic acid; durch Behandlung mit Jodwasserstoff und mit Zinkstaub;

Reference yield:

m-menthan-5-ol (10488-20-7,28587-74-8,28767-45-5,116563-03-2) → 3-isopropyl-5-methycyclohexanone (518034-59-8)

Guidance literature:

With chromic acid;

upstream raw materials:

3-methyl-5-(1-methylethyl)-2-cyclohexen-1-one

m-menthan-5-ol