2-Cyclohexylbutanoic acid

Base Information

• Chemical Name: 2-Cyclohexylbutanoic acid
• CAS No.: 6051-00-9
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• European Community (EC) Number: 227-954-2
• NSC Number: 81236
• DSSTox Substance ID: DTXSID901308036
• Nikkaji Number: J227.260A
• Mol file: 6051-00-9.mol

Synonyms:2-Cyclohexylbutanoic acid;6051-00-9;2-Cyclohexylbutyric acid;2-Cyclohexyl-n-butyric acid;Alpha-ethylcyclohexaneacetic acid;EINECS 227-954-2;Cyclohexaneacetic acid, .alpha.-ethyl-;cyclohexylbutyric acid;SCHEMBL506450;DTXSID901308036;.alpha.-Ethylcyclohexaneacetic acid;NSC81236;CCG-40432;NSC 81236;NSC-81236;AKOS006281254;CS-0295835;EN300-783163

Chemical Property of 2-Cyclohexylbutanoic acid

Chemical Property:

• Vapor Pressure: 0.00129mmHg at 25°C
• Boiling Point: 276.7°C at 760 mmHg
• Flash Point: 133.9°C
• PSA: 37.30000
• Density: 1.003g/cm³
• LogP: 2.67750
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1CCCCC1)C(=O)O

Technology Process of 2-Cyclohexylbutanoic acid

There total 3 articles about 2-Cyclohexylbutanoic acid 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:

ethyl-cyclohexyl-malonic acid diethyl ester (101106-99-4) → 2-cyclohexyl-butyric acid (6051-00-9)

Guidance literature:

With potassium hydroxide; at 140 - 160 ℃; Erhitzen des Reaktionsprodukts auf 180grad;

DOI:10.1021/ja01200a004

Reference yield:

2-Phenylbutyric acid (90-27-7) → 2-cyclohexyl-butyric acid (6051-00-9)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

DOI:10.1021/ja01218a037

Reference yield:

→ 2-cyclohexyl-butyric acid (6051-00-9)

Guidance literature:

Cyclohexen, Buttersaeure, Di-tert.butyl-peroxyd;

upstream raw materials:

2-Phenylbutyric acid

ethyl-cyclohexyl-malonic acid diethyl ester

Downstream raw materials:

2-cyclohexyl-butyric acid-(2-diethylamino-ethyl ester)

6-Chlor-7-sulfamoyl-3-<1-cyclohexyl-propyl>-1,2,4-benzothiadiazin-1,1-dioxid

2-Cyclohexyl-butyric acid methyl ester

α-Aethyl-cyclohexanaethanol