(1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone

Base Information

• Chemical Name: (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone
• CAS No.: 52612-52-9
• Molecular Formula: C11H20O
• Molecular Weight: 168.279
• European Community (EC) Number: 258-046-4
• DSSTox Substance ID: DTXSID20967045
• Nikkaji Number: J291.198A
• Mol file: 52612-52-9.mol

Synonyms:52612-52-9;(1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone;EINECS 258-046-4;SCHEMBL4608224;DTXSID20967045;LGEFCQRTSXYJAD-WCBMZHEXSA-N;cis-1-acetyl-2,2,6-trimethylcyclohexane;1-(2,2,6-Trimethylcyclohexyl)ethan-1-one;1-(2,2,6alpha-Trimethylcyclohexan-1alpha-yl)ethanone

Chemical Property of (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone

Chemical Property:

• Vapor Pressure: 0.139mmHg at 25°C
• Refractive Index: 1.432
• Boiling Point: 216.6°C at 760 mmHg
• Flash Point: 93.4°C
• PSA: 17.07000
• Density: 0.858g/cm³
• LogP: 3.03780
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 168.151415257
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(C1C(=O)C)(C)C
• Isomeric SMILES: C[C@H]1CCCC([C@H]1C(=O)C)(C)C

Technology Process of (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone

There total 9 articles about (1S-cis)-1-(2,2,6-Trimethylcyclohexyl)ethanone 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:

dimethylcadmium (506-82-1) → (+/-)-1-(2,2,6t-trimethyl-cyclohexyl-(r))-ethanone-(1) (26383-28-8,52612-42-7,52612-52-9,52842-33-8,52842-34-9)

Guidance literature:

With diethyl ether; anfangs unter Kuehlung, zuletzt bei Siedetemperatur;

DOI:10.1002/hlca.19480310734

Reference yield:

2,6,6-trimethyl-3-cyclohexenyl methyl ketone (25915-53-1,41436-48-0) → cis-2,2,6-trimethylcyclohexyl methyl ketone (52612-52-9)

Guidance literature:

palladium on charcoal; In ethanol;

Reference yield:

(4S)-4,8-dimethyl-7-nonen-2-one (82507-53-7) → cis-2,2,6-trimethylcyclohexyl methyl ketone (52612-52-9) + (1R,6S)-(-)-2,2,6-trimethylcyclohexyl methyl ketone

Guidance literature:

(4S)-4,8-dimethyl-7-nonen-2-one; With Isopropenyl acetate; toluene-4-sulfonic acid; In toluene; at 90 - 118 ℃; for 18h;

With phosphoric acid; In toluene; at 95 - 110 ℃; for 24h;

DOI:10.1016/S0040-4020(02)01562-4

upstream raw materials:

methyl bromide

cis-Dihydro-cyclogeraniumsaeurechlorid(ent)

(4S)-4,8-dimethyl-7-nonen-2-one

(S)-Citronellal

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