2-Butylcyclohexanone

Base Information

• Chemical Name: 2-Butylcyclohexanone
• CAS No.: 1126-18-7
• Molecular Formula: C10H18 O
• Molecular Weight: 154.252
• Hs Code.: 2914299000
• European Community (EC) Number: 214-417-2
• NSC Number: 60224
• DSSTox Substance ID: DTXSID501315255
• Nikkaji Number: J160.211J
• Mol file: 1126-18-7.mol

Synonyms:2-Butylcyclohexanone;1126-18-7;2-butylcyclohexan-1-one;Cyclohexanone, 2-butyl-;2-n-Butylcyclohexanone;EINECS 214-417-2;Cyclohexanone, butyl-;butylcyclohexanone;NSC60224;2-Butylcyclohexanone #;2-butyl-cyclohexan-1-one;SCHEMBL42517;DTXSID501315255;BAA12618;NSC 60224;NSC-60224;AKOS010640888;CS-0365097;F8882-5658

Chemical Property of 2-Butylcyclohexanone

Chemical Property:

• Vapor Pressure: 0.115mmHg at 25°C
• Melting Point: 27.18°C (estimate)
• Refractive Index: 1.4545
• Boiling Point: 220.1°C at 760 mmHg
• Flash Point: 79.7°C
• PSA: 17.07000
• Density: 0.888g/cm³
• LogP: 2.93590
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

99%, ^*data from raw suppliers

2-BUTYLCYCLOHEXANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1CCCCC1=O
• Uses: 2-Butylcyclohexan-1-one is a key reagent in the preparation of 5(6)-decenoic acid.

Technology Process of 2-Butylcyclohexanone

There total 89 articles about 2-Butylcyclohexanone 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: 90.0%

2-(1-phenylthiobutyl)cyclohexanone (72653-50-0) → 2-butylcyclohexanone (1126-18-7)

Guidance literature:

W-2 Raney nickel; In ethanol; acetone; at 20 ℃; for 2h;

DOI:10.1016/S0040-4020(01)86667-9

Reference yield: 85.0%

butyl magnesium bromide (693-04-9) + 2-Chlorocyclohexanone (822-87-7) → 2-butylcyclohexanone (1126-18-7)

Guidance literature:

butyl magnesium bromide; With zinc dibromide; In diethyl ether; at 0 ℃; for 0.5h;

2-Chlorocyclohexanone; With copper acetylacetonate; In diethyl ether; at 25 ℃; for 14h;

DOI:10.1021/ja0467768

Reference yield: 79.0%

cyclohexenone (930-68-7) + n-butylcopper (34948-25-9) → 2-butylcyclohexanone (1126-18-7)

Guidance literature:

With chloro-trimethyl-silane; In diethyl ether; at -78 ℃; for 3h;

DOI:10.1016/S0040-4020(01)90348-5

upstream raw materials:

trans-octahydro-[4a]naphthyl hydroperoxide

2-But-2-enyliden-cyclohexanon

ethyl 2-butylcyclohexanone-2-carboxylate

cis-1-butyl-2-chlorocyclohexanol

Downstream raw materials:

N'-[2-Butyl-cyclohex-(E)-ylidene]-hydrazinecarbodithioic acid methyl ester

1-Butyl-2-hydroxymethylen-cyclohexanon-⁽²⁾

ε-decalactone

2-ethyl-2-butyl-cyclohexanone

Refernces

• 1、 Bartoli, Giuseppe,Bosco, Marcella,Sambri, Letizia,Marcantoni, Enrico. "Cerium(III) Chloride Mediated Michael Addition of RMgX to Nitroenes: a Very Efficient Access to Complex Nitroalkanes". . p. 8651 - 8654. Retrieved 1994.
• 2、 Fellous, R.,Lizzani-Cuvelier, L.,Loiseau, M. A.,Sassy, E.. "Resolution of Racemic ε-Lactones". . p. 343 - 346. Retrieved 1994.
• 3、 -. "A milk lactone perfume continuous compound into method (by machine translation)". . . Retrieved 2019/05/08.
• 4、 -. "Synthetic method of epsilon-decalactone perfume". . . Retrieved 2019/05/15.