trans-4-Isopropylcyclohexanecarboxylic acid

Base Information

• Chemical Name: trans-4-Isopropylcyclohexanecarboxylic acid
• CAS No.: 62067-45-2
• Molecular Formula: C10H18 O2
• Molecular Weight: 170.252
• Hs Code.: 2916200090
• European Community (EC) Number: 230-375-8,230-385-2,674-630-5
• NSC Number: 124041,28951
• UNII: J76GYT4RZX
• DSSTox Substance ID: DTXSID00884281,DTXSID20884283,DTXSID50977652
• Nikkaji Number: J227.368C,J227.372A,J75.382C
• Mol file: 62067-45-2.mol

Synonyms:trans-4-Isopropylcyclohexanecarboxylic acid;7077-05-6;62067-45-2;7084-93-7;4-Isopropylcyclohexanecarboxylic acid;cis-4-Isopropylcyclohexanecarboxylic acid;trans-4-Isopropylcyclohexane carboxylic acid;Isopropyl-cyclohexanecarboxylic acid;4-propan-2-ylcyclohexane-1-carboxylic acid;hexahydrocumic acid;Cyclohexanecarboxylic acid, 4-(1-methylethyl)-;Cyclohexanecarboxylic acid, 4-(1-methylethyl)-, trans-;trans-4-Isopropylcyclohexyl carboxylic acid;4-isopropylcyclohexane carboxylic acid;trans-4-isopropylcyclohexylcarboxylic acid;J76GYT4RZX;trans-p-Menthan-7-oic acid;Cyclohexanecarboxylic acid, 4-isopropyl-;Cyclohexanecarboxylic acid, 4-(1-methylethyl)-, cis-;trans-4-(1-methylethyl)cyclohexanecarboxylic acid;EINECS 230-385-2;MFCD04004145;NSC 124041;(1s,4s)-4-(propan-2-yl)cyclohexane-1-carboxylic acid;4-(propan-2-yl)cyclohexane-1-carboxylic acid;Cyclohexanecarboxylic acid, 4-isopropyl-, cis-;P-isopropylhexahydrobenzoic acid;Cyclohexanecarboxylic acid, 4-isopropyl-, trans-;trans-4-(1-methylethyl)cyclohexane carboxylic acid;(1r,4r)-4-(propan-2-yl)cyclohexane-1-carboxylic acid;MFCD01734696;4-iso-Propylcyclohexanecarboxylic acid;Nateglinide Impurity A;UNII-J76GYT4RZX;SCHEMBL824154;4-isopropylcyclohexanecarboxylic;SCHEMBL1692318;SCHEMBL10270877;SCHEMBL13917841;SCHEMBL14620731;DTXSID00884281;DTXSID20884283;DTXSID50977652;NSC28951;EINECS 230-375-8;AC7772;MFCD19706019;NSC 28951;NSC-28951;NSC124041;STK661653;AKOS004093386;AKOS006344479;4-isopropyl cyclohexane carboxylic acid;AC-4554;cis-4-Isopropylcyclohexanecarboxylicacid;CS-W023032;GS-3182;NSC-124041;SB44777;trans-4-Isopropylcyclohexanemethane Acid;AS-10826;AS-83236;LS-56704;SY031424;trans-p-isopropylcyclohexanecarboxylic acid;4-(propan-2-yl)cyclohexanecarboxylic acid;trans-4-iso-Propylcyclohexanecarboxylic acid;AM20070511;FT-0627010;FT-0636350;I0664;I0874;NATEGLINIDE IMPURITY A [EP IMPURITY];(1r,4r)-4-isopropylcyclohexanecarboxylic acid;A25074;cis-4-Isopropylcyclohexanecarboxylic acid, 97%;EN300-116591;EN300-139354;EN300-244785;T72718;4alpha-Isopropylcyclohexane-1alpha-carboxylic acid;A833561;A1-00910;W-104541;F2191-0123;Z1201622623

Chemical Property of trans-4-Isopropylcyclohexanecarboxylic acid

Chemical Property:

• Vapor Pressure: 0.00294mmHg at 25°C
• Melting Point: 90-93°C
• Refractive Index: 1.4650 to 1.4690
• Boiling Point: 263.8°C at 760 mmHg
• Flash Point: 126.9°C
• PSA: 37.30000
• Density: 0.996g/cm³
• LogP: 2.53340
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.130679813
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

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

4-Isopropylcyclohexanecarboxylic Acid (cis- and trans- mixture) >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CCC(CC1)C(=O)O
• Uses: 4-Isopropylcyclohexanecarboxylic Acid is used in the preparation of armomatic aldehydes as perfume ingredients.

Technology Process of trans-4-Isopropylcyclohexanecarboxylic acid

There total 4 articles about trans-4-Isopropylcyclohexanecarboxylic 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: 99.4%

→ trans-4-isopropylcyclohexane-1-carboxylic acid (7077-05-6) + 4-isopropyl cyclohexane carboxylic acid (62067-45-2)

Guidance literature:

Reference yield: 98.0%

p-isopropylbenzoic acid (536-66-3) → 4-isopropyl cyclohexane carboxylic acid (62067-45-2)

Guidance literature:

With hydrogen; platinum(IV) oxide; In diethyl ether; under 2625.21 Torr;

DOI:10.1039/b516641a

Reference yield: 93.0%

→ 4-isopropyl cyclohexane carboxylic acid (62067-45-2)

Guidance literature:

upstream raw materials:

p-isopropylbenzoic acid

Menthane

manganese(II) acetate

lead acetate

Downstream raw materials:

r-1-diazoacetyl-t-4-isopropyl-1-methylcyclohexane

r-1-diazoacetyl-c-4-isopropyl-1-methylcyclohexane

2-diazo-1-(trans-4-isopropylcyclohexyl)-1-ethanone

2-diazo-1-(cis-4-isopropylcyclohexyl)-1-ethanone

Refernces

• 1、 -. "Cycloalkylamides and their therapeutic applications". . . Retrieved 2008/06/13.
• 2、 -. "Epimerization of 2- or 4- substituted cyclohexanecarboxylic acids". . . Retrieved 2008/06/13.