4-Pentylcyclohexanecarboxylic acid

Base Information

• Chemical Name: 4-Pentylcyclohexanecarboxylic acid
• CAS No.: 38792-89-1
• Molecular Formula: C12H22O2
• Molecular Weight: 198.305
• Hs Code.: 2916209090
• European Community (EC) Number: 626-251-1,690-175-5
• NSC Number: 173074
• UNII: S86CWG6K6Q
• DSSTox Substance ID: DTXSID10192061,DTXSID501275671
• Nikkaji Number: J52.439E,J52.440I,J75.386F
• ChEMBL ID: CHEMBL1375979
• Mol file: 38792-89-1.mol

Synonyms:trans-4-Pentylcyclohexanecarboxylic acid;38289-29-1;4-Pentylcyclohexanecarboxylic acid;38792-89-1;4-pentylcyclohexane-1-carboxylic acid;trans-4-n-Pentylcyclohexanecarboxylic acid;Cyclohexanecarboxylic acid, 4-pentyl-;Cyclohexanecarboxylic acid, 4-pentyl-, trans-;4-n-Pentylcyclohexane carboxylic acid;NSC 173074;S86CWG6K6Q;(1s,4r)-4-pentylcyclohexanecarboxylic acid;MLS000084664;4-amylcyclohexanecarboxylic acid;4-Pentylcyclohexylcarboxylic acid;(1s,4r)-4-pentylcyclohexane-1-carboxylic acid;ZLI 1153;NSC-173074;SMR000019012;Trans-4-n-pentylcyclohexane carboxylic acid;trans-4-Amylcyclohexanecarboxylic Acid;4-pentylcyclohexanecarboxylicacid;trans-4-n-pentyl-cyclohexanecarboxylic acid;UNII-S86CWG6K6Q;cid_98882;SCHEMBL503716;SCHEMBL503717;REGID_for_CID_98882;SCHEMBL2526487;CHEMBL1375979;BDBM35384;RVLAXPQGTRTHEV-UHFFFAOYSA-;DTXSID10192061;DTXSID501275671;HMS2371M23;4-Pentyl-cyclohexanecarboxylic acid;4-pentylcyclohexane carboxylic acid;ZLI-1153;4-Pentylcyclohexanecarboxylic acid #;BBL019034;MFCD00009964;MFCD00466238;NSC173074;para-n-pentyl-transcyclohexanoic acid;STL169351;4-pentyl-1-cyclohexanecarboxylic acid;AKOS001483408;AKOS015839695;trans-4-pentylcyclohexanecarboxlic acid;trans-4-pentylcyclohexylcarboxylic acid;AM84922;CCG-103190;PS-8239;Trans-4-pentylcyclohexyl carboxylic acid;trans-4-pentylcyclohexane carboxylic acid;LS-56725;trans-4-pentyl-cyclohexane-carboxylic acid;4beta-Amylcyclohexane-1alpha-carboxylic acid;CS-0147104;FT-0639454;FT-0722990;P0944;trans-4-(Pent-1-yl)cyclohexanecarboxylic acid;trans-4-n-pentylcyclohexane-1-carboxylic acid;trans-4-Pentylcyclohexanecarboxylic acid, 97%;4alpha-Pentyl-1alpha-cyclohexanecarboxylic acid;A24060;D82007;F16764;EN300-6746317;12N-117;A918997;SR-01000389504;SR-01000389504-1;TRANS-4-PENTYLCYCLOHEXANE-1-CARBOXYLIC ACID;Trans-4-PentylcyclohexaneCarboxylicAcid,5HaC12H22O2

Chemical Property of 4-Pentylcyclohexanecarboxylic acid

Chemical Property:

• Refractive Index: 1.4640 to 1.4680
• Boiling Point: 304.6 °C at 760 mmHg
• Flash Point: 147.4 °C
• PSA: 37.30000
• Density: 0.963 g/cm³
• LogP: 3.45770
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 169

Purity/Quality:

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

4-PentylcyclohexanecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CCC(CC1)C(=O)O

Technology Process of 4-Pentylcyclohexanecarboxylic acid

There total 3 articles about 4-Pentylcyclohexanecarboxylic 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: 88.0%

4-pentylbenzoic acid (26311-45-5) → 4-trans-pentylcyclohexane-1-carboxylic acid (38289-29-1,38792-89-1,67589-84-8)

Guidance literature:

4-pentylbenzoic 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:

→ 4-trans-pentylcyclohexane-1-carboxylic acid (38289-29-1,38792-89-1,67589-84-8)

Guidance literature:

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

Reference yield:

→ 4-trans-pentyl-cyclohexane-1-carboxylic acid (38792-89-1)

Guidance literature:

Aus entspr. Benzoesaeure u. Pt / H2;

upstream raw materials:

4-pentylbenzoic acid

Downstream raw materials:

4-(4-pentynyloxy)phenyl trans-4-n-pentylcyclohexanoate

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

(1S*,4R*)-4-pentylcyclohexane-1-carbaldehyde

Refernces

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