trans-4-Propylcyclohexanecarboxylic Acid

Base Information

• Chemical Name: trans-4-Propylcyclohexanecarboxylic Acid
• CAS No.: 70928-91-5
• Molecular Formula: C10H18O2
• Molecular Weight: 170.252
• Hs Code.: 2916209090
• European Community (EC) Number: 678-450-8,679-815-4,848-552-9
• DSSTox Substance ID: DTXSID90959210
• Nikkaji Number: J52.433F,J52.434D,J213.433K
• Mol file: 70928-91-5.mol

Synonyms:trans-4-Propylcyclohexanecarboxylic Acid;38289-27-9;4-Propylcyclohexanecarboxylic Acid;70928-91-5;4-propylcyclohexane-1-carboxylic acid;trans-4-n-Propylcyclohexanecarboxylic acid;trans-4-(Prop-1-yl)cyclohexanecarboxylic acid;Propylcyclohexanecarboxylicacid;99%;Cyclohexanecarboxylic acid, 4-propyl-, trans-;(1s,4r)-4-propylcyclohexane-1-carboxylic acid;trans-4-Propylcyclohexylcarboxylic acid;4-trans-n-propylcyclohxanecarboxylic acid;Trans-4-n-propylcyclohexane carboxylic acid;Bionet2_000538;(1r,4s)-4-propylcyclohexane-1-carboxylic acid;SCHEMBL223127;SCHEMBL223128;SCHEMBL3512672;NIOSH/GU8648000;SCHEMBL20625805;DTXSID90959210;HMS1365I10;4-Propyl-cyclohexanecarboxylic acid;BCP20258;STR02767;MFCD00059559;MFCD00804713;STL119816;4-n-Propyl-cyclohexanecarboxylic acid;4-propyl-1-cyclohexanecarboxylic acid;cis-4-propylcyclohexanecarboxylic acid;AKOS000482520;AKOS006237425;AB02359;AM84921;CS-W023033;PS-3517;trans-4-propylcyclohexane carboxylic acid;LS-56751;(1s,4r)-4-propylcyclohexanecarboxylic acid;4-Propylcyclohexanecarboxylic acid AldrichCPR;FT-0639452;FT-0641317;GU86480000;P0943;P1656;4-Propylcyclohexanecarboxylic acid, AldrichCPR;4alpha-Propyl-1beta-cyclohexanecarboxylic acid;Trans-4-n-propylcyclohexane-1-carboxylic acid;4alpha-Propyl-1alpha-cyclohexanecarboxylic acid;A24056;D70228;D92141;EN300-7415664;EN300-7460587;12N-254;A837028;SR-01000389345;SR-01000389345-1;F0451-0100;trans-4-Propylcyclohexanecarboxylic acid;(Z)-4-n-Propylcyclohexanecarboxylic acid and (E)-4-n-propylcyclohexanecarboxylic acid;67589-82-6

Chemical Property of trans-4-Propylcyclohexanecarboxylic Acid

Chemical Property:

• Vapor Pressure: 0.00195mmHg at 25°C
• Refractive Index: 1.464
• Boiling Point: 270.3 °C at 760 mmHg
• PKA: 4.92±0.10(Predicted)
• Flash Point: 129.5 °C
• PSA: 37.30000
• Density: 0.985 g/cm³
• LogP: 2.67750
• Solubility.: soluble in Methanol
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

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

4-PropylcyclohexanecarboxylicAcid(cis/transmixture) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCC(CC1)C(=O)O

Technology Process of trans-4-Propylcyclohexanecarboxylic Acid

There total 1 articles about trans-4-Propylcyclohexanecarboxylic 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: 93.6%

→ trans-4-propyl-cyclohexanecarboxylic acid (38289-27-9) + 4-trans-propyl-cyclohexane-1-carboxylic acid (70928-91-5)

Guidance literature:

Reference yield: 98.1%

4-trans-propyl-cyclohexane-1-carboxylic acid (70928-91-5) → trans-4-n-propylcyclohexylmethanol (376642-44-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -20 - -10 ℃; for 2h;

Reference yield: 97.0%

ethanol (64-17-5) + 4-trans-propyl-cyclohexane-1-carboxylic acid (70928-91-5) → ethyl 4-propylcyclohexanecarboxylate

Guidance literature:

With sulfuric acid; for 2h; Reflux;

Downstream raw materials:

4-propyl-1-cyclohexene-1-carboxylic acid

1-Hydroxymethyl-4-propyl-cyclohexanecarboxylic acid ((S)-1-methylcarbamoyl-2-phenyl-ethyl)-amide

4-Propyl-cyclohex-1-enecarbothioic acid S-(4-butyl-phenyl) ester

4-Propyl-cyclohex-1-enecarbothioic acid S-(4-ethoxy-phenyl) ester

Refernces