trans-4-Hexylcyclohexanecarboxylic acid

Base Information

• Chemical Name: trans-4-Hexylcyclohexanecarboxylic acid
• CAS No.: 38289-30-4
• Molecular Formula: C13H24O2
• Molecular Weight: 212.332
• Hs Code.: 2916209090
• NSC Number: 169082
• DSSTox Substance ID: DTXSID70192062,DTXSID901279875
• Nikkaji Number: J52.435B,J52.436K,J75.378E
• Mol file: 38289-30-4.mol

Synonyms:TRANS-4-HEXYLCYCLOHEXANECARBOXYLIC ACID;38289-30-4;4-hexylcyclohexane-1-carboxylic acid;38792-92-6;4-Hexylcyclohexanecarboxylic acid;Cyclohexanecarboxylic acid, 4-hexyl-;4-n-Hexylcyclohexane carboxylic acid;trans-4-n-hexylcyclohexanecarboxylic acid;Cyclohexanecarboxylic acid, 4-hexyl-, trans-;NSC 169082;TRANS-4-HEXYL CYCLOHEXANE CARBOXYLIC ACID;SCHEMBL2441406;SCHEMBL2818108;SCHEMBL10393434;DTXSID70192062;POEBGIQSFIJHAX-HAQNSBGRSA-N;POEBGIQSFIJHAX-TXEJJXNPSA-N;POEBGIQSFIJHAX-UHFFFAOYSA-N;DTXSID901279875;4-hexylcyclohexane-1-carboxylicacid;4-Hexylcyclohexanecarboxylic acid #;NSC169082;AKOS000511674;AKOS015918036;cis-4-n-hexylcyclohexanecarboxylic acid;NSC-169082;4-TRANS-HEXYLCYCLOHEXANECARBOXYLICACID;CS-0327481;FT-0725880;12N-229

Chemical Property of trans-4-Hexylcyclohexanecarboxylic acid

Chemical Property:

• Vapor Pressure: 6.27E-05mmHg at 25°C
• Refractive Index: 1.466
• Boiling Point: 321.2 °C at 760 mmHg
• PKA: 4.94±0.10(Predicted)
• Flash Point: 155.8 °C
• PSA: 37.30000
• Density: 0.955 g/cm³
• LogP: 3.84780
• Storage Temp.: 2-8°C
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 212.177630004
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

95-99% ^*data from raw suppliers

trans-4-Hexylcyclohexanecarboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC1CCC(CC1)C(=O)O
• Uses: Intermediates of Liquid Crystals

Technology Process of trans-4-Hexylcyclohexanecarboxylic acid

There total 5 articles about trans-4-Hexylcyclohexanecarboxylic 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: 85.0%

4-hexylbenzoic acid (21643-38-9) → trans-4-n-trans-cyclohexanecarboxylic acid (38289-30-4)

Guidance literature:

4-hexylbenzoic 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: 80.0%

4-hexylbenzoic acid (21643-38-9) → trans-4-n-trans-cyclohexanecarboxylic acid (38289-30-4) + cis 4-n-hexylcyclohexanecarboxylic acid (67589-85-9)

Guidance literature:

With hydrogen; platinum(IV) oxide; In acetic acid; under 2585.7 Torr;

DOI:10.1016/0039-128X(83)90095-8

Reference yield:

4-n-hexylcyclohexanecarboxylic acid (38792-92-6) → trans-4-n-trans-cyclohexanecarboxylic acid (38289-30-4) + cis 4-n-hexylcyclohexanecarboxylic acid (67589-85-9)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 25h; Product distribution; Heating; influence of water, yield of cis isomer vs. time;

upstream raw materials:

4-hexylbenzoic acid

4-n-hexylcyclohexanecarboxylic acid

Downstream raw materials:

trans-4-n-Hexylcyclohexylmethanol

trans-4-hexylcyclohexane-1-carboxylic acid chloride

thallium salt of 4-hexyl-trans-cyclohexanecarboxylic acid

trans-1-acryloyl-4-n-hexylcyclohexane

Refernces

• 1、 -. "Long-acting androgenic compounds and pharmaceutical compositions thereof". . . Retrieved 2008/06/13.
• 2、 Shafiee, A.,Vossoghi, M.,Savabi, F.,Schubert, K.,Ponsold, K.,et al.. "Long-acting contraceptive agents: Alphatic and alicyclic carboxylic esters of levonorgestrel". . p. 349 - 359. Retrieved 2007/10/02.