trans-4-Butylcyclohexanecarboxylic Acid

Base Information

• Chemical Name: trans-4-Butylcyclohexanecarboxylic Acid
• CAS No.: 71101-89-8
• Molecular Formula: C11H20O2
• Molecular Weight: 184.279
• Hs Code.: 2916209090
• European Community (EC) Number: 677-973-9,678-222-8
• UNII: R2PQJ6SF7B,C8XG78Y2T5
• DSSTox Substance ID: DTXSID50959211
• Nikkaji Number: J52.431J,J52.432H,J213.434I
• Wikipedia: Buciclic_acid
• Mol file: 71101-89-8.mol

Synonyms:trans-4-Butylcyclohexanecarboxylic Acid;38289-28-0;4-butylcyclohexanecarboxylic acid;71101-89-8;4-butylcyclohexane-1-carboxylic acid;4-butylcyclohexane carboxylic acid;trans-4-butylcyclohexane carboxylic acid;trans-4-n-Butylcyclohexanecarboxylic acid;4-n-Butylcyclohexanecarboxylic acid;Cyclohexanecarboxylic acid, 4-butyl-, trans-;Bucyclic acid, trans;Bucyclic acid, cis-;trans-4-butylcyclohexane-1-carboxylic acid;Cyclohexanecarboxylic acid, 4-butyl-;R2PQJ6SF7B;(1s,4r)-4-butylcyclohexanecarboxylic acid;C8XG78Y2T5;ZHKM-897;Cyclohexanecarboxylic acid, 4-butyl-, cis-;67589-83-7;CDB-2725;Cis-4-butylcyclohexanecarboxylic acid;MFCD00460757;Enamine_005334;Buciclate;Bucyclic acid;UNII-R2PQJ6SF7B;4-BCCA;UNII-C8XG78Y2T5;Oprea1_862776;SCHEMBL1472144;SCHEMBL1507888;SCHEMBL10392569;GTPL11309;DTXSID50959211;BALGERHMIXFENA-AOOOYVTPSA-N;BALGERHMIXFENA-MGCOHNPYSA-N;HMS1409C10;AMY18325;MFCD00059560;STK503669;AKOS001051963;AKOS015915028;AB02363;cis-4-n-butylcyclohexanecarboxylic acid;s10738;cis-4- n-butylcyclohexanecarboxylic acid;AS-10798;BS-22323;PD134020;B1136;B2986;FT-0639453;FT-0694703;4-Butylcyclohexanecarboxylic acid, AldrichCPR;4alpha-Butyl-1alpha-cyclohexanecarboxylic acid;EN300-05857;A24058;S11585;A866493;(1S,4R)-4-BUTYLCYCLOHEXANE-1-CARBOXYLIC ACID;Z56911948;F2191-0238;4-(trans-4-butylcyclohexyl)benzonitrile;trans-4-butyl-(4-cyanophenyl) cyclohexane;V8G

Chemical Property of trans-4-Butylcyclohexanecarboxylic Acid

Chemical Property:

• Refractive Index: 1.4630-1.4690
• Boiling Point: 287.7 °C at 760 mmHg
• Flash Point: 138.6 °C
• PSA: 37.30000
• Density: 0.973 g/cm³
• LogP: 3.06760
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Butylcyclohexanecarboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1CCC(CC1)C(=O)O

Technology Process of trans-4-Butylcyclohexanecarboxylic Acid

There total 3 articles about trans-4-Butylcyclohexanecarboxylic 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: 99.5%

ethyl cis-4-n-butylcyclohexanecarboxylate (131918-85-9) → trans-4-butylcyclohexane carboxylic acid (71101-89-8)

Guidance literature:

With hydrogenchloride; sodium; In ethanol; water;

Reference yield: 88.0%

→ trans-4-butylcyclohexanecarboxylic acid (38289-28-0) + trans-4-butylcyclohexane carboxylic acid (71101-89-8)

Guidance literature:

Reference yield:

→ trans-4-butylcyclohexane carboxylic acid (71101-89-8)

Guidance literature:

aus 4-n-Butylbenzoesaeure, H2/Ni; Trennung m. Thioharnstoff;

upstream raw materials:

ethyl cis-4-n-butylcyclohexanecarboxylate

Downstream raw materials:

testosterone trans-4-n-butylcyclohexanecarboxylate

trans-4-n-butylcyclohexane-carboxylic acid chloride

trans-4-butylcyclohexyl methanol

4-Butyl-cyclohex-1-enecarbothioic acid S-(4-cyano-phenyl) ester

Refernces

• 1、 -. "Long-acting androgenic compounds and pharmaceutical compositions thereof". . . Retrieved 2008/06/13.