trans-4-Propylcyclohexanecarboxylic Acid

Base Information

• Chemical Name: trans-4-Propylcyclohexanecarboxylic Acid
• CAS No.: 38289-27-9
• Molecular Formula: C10H18O2
• Molecular Weight: 170.252
• Hs Code.: 29162090
• 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: 38289-27-9.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:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00195mmHg at 25°C
• Melting Point: 93°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
• Storage Temp.: Sealed in dry,Room Temperature
• 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:

99%, ^*data from raw suppliers

trans-4-Propylcyclohexanecarboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39-60-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCC(CC1)C(=O)O
• Uses: Intermediates of Liquid Crystals

Technology Process of trans-4-Propylcyclohexanecarboxylic Acid

There total 3 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: 85.0%

4-n-propylbenzoic acid (2438-05-3) → trans-4-propyl-cyclohexanecarboxylic acid (38289-27-9)

Guidance literature:

4-n-propylbenzoic acid; With sodium hydroxide; hydrogen; In water; at 140 - 150 ℃; for 1h; under 22502.3 - 30003 Torr;

With sodium hydroxide; In water; at 260 - 280 ℃; for 2h; under 22502.3 - 30003 Torr; Further stages.;

DOI:10.1016/j.tetlet.2004.06.117

Reference yield:

→ trans-4-propyl-cyclohexanecarboxylic acid (38289-27-9)

Guidance literature:

4-Propylbenzoesaeure, 1) H2/Raney-Ni (Bildung cis- u. trans-Cyclohexansaeure), 2) Thioharnstoff (Bildung trans-Saeure-Einschlussverb.), 3) HCl;

upstream raw materials:

4-n-propylbenzoic acid

Downstream raw materials:

Trans-4-propylcyclohexanecarboxylic acid p-ethynylphenyl ester

4-propyl-cyclohexanecarboxylic acid 4-pent-4-ynyloxy-phenyl ester

4-propyl-cyclohexanecarboxylic acid 4-hex-5-ynyloxy-phenyl ester

trans-4-n-propyl-1-bromomethylcyclohexane

Refernces

• 1、 -. "Epimerization of 2- or 4- substituted cyclohexanecarboxylic acids". . . Retrieved 2008/06/13.
• 2、 -. "Liquid crystal compounds". . . Retrieved 2008/06/13.