1-Cyclohexylpropan-1-one

Base Information

• Chemical Name: 1-Cyclohexylpropan-1-one
• CAS No.: 1123-86-0
• Molecular Formula: C9H16 O
• Molecular Weight: 140.225
• Hs Code.: 2914299000
• European Community (EC) Number: 214-380-2
• NSC Number: 39457
• UNII: L22JP3KC84
• DSSTox Substance ID: DTXSID20149985
• Nikkaji Number: J80.171B
• Wikidata: Q83015867
• Mol file: 1123-86-0.mol

Synonyms:1-Cyclohexylpropan-1-one;1123-86-0;CYCLOHEXYL ETHYL KETONE;Ethyl cyclohexyl ketone;Cyclohexylethylketone;1-Cyclohexyl-1-propanone;1-Propanone, 1-cyclohexyl-;Ketone, cyclohexyl ethyl;AI3-39198;L22JP3KC84;EINECS 214-380-2;NSC-39457;Propanoylcyclohexane;1-Methylacetylcyclohexan;1-cyclohexyl-propan-1-one;UNII-L22JP3KC84;SCHEMBL162772;DTXSID20149985;NSC39457;MFCD00060814;NSC 39457;AKOS009158349;BS-14389;CS-0069673;FT-0693348;EN300-64061;F53827;Z513735268

Chemical Property of 1-Cyclohexylpropan-1-one

Chemical Property:

• Vapor Pressure: 0.408mmHg at 25°C
• Refractive Index: 1.4530
• Boiling Point: 196°Cat760mmHg
• Flash Point: 74.5°C
• PSA: 17.07000
• Density: 0.909g/cm³
• LogP: 2.54580
• Storage Temp.: 2-8°C
• Solubility.: Soluble in organic solvents.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 140.120115130
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

97% ^*data from raw suppliers

1-Cyclohexylpropan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1CCCCC1
• Uses: Cyclohexyl ethyl ketone is used as a intermediate in organic synthesis.

Technology Process of 1-Cyclohexylpropan-1-one

There total 71 articles about 1-Cyclohexylpropan-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: 100.0%

propionaldehyde (123-38-6) + cyclohexene (110-83-8) → cyclohexyl ethyl ketone (1123-86-0)

Guidance literature:

With dibenzoyl peroxide; at 90 ℃; for 10h;

Reference yield: 98.0%

cyclohexylpropyl alcohol (17264-02-7) → cyclohexyl ethyl ketone (1123-86-0)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 2h;

Reference yield: 94.0%

1-phenyl-propan-1-one (93-55-0) → cyclohexyl ethyl ketone (1123-86-0)

Guidance literature:

With C₃₃H₄₉ClNRh; hydrogen; In 2,2,2-trifluoroethanol; at 20 ℃; for 24h; under 3750.38 Torr; Reagent/catalyst; Autoclave; Molecular sieve;

DOI:10.1021/jacs.5b05868

upstream raw materials:

ethanol

N,N-dimethylcyclohexanecarboxamide

cyclohexylpropyl alcohol

1-(α-Oxy-propyl)-cyclohexanol-(1)

Downstream raw materials:

(+/-)-2-cyclohexyl-butan-2-ol

Z-Diethyl-(1-cyclohexyl-1-propenyloxy)-boran

(Z)-1-cyclohexyl-1-(trimethylsilyloxy)-1-propene

(E)-1-cyclohexyl-1-(trimethylsiloxy)-1-propene