4-Methylcyclohex-1-ene-1-carboxylic acid

Base Information

• Chemical Name: 4-Methylcyclohex-1-ene-1-carboxylic acid
• CAS No.: 5333-31-3
• Molecular Formula: C8H12O2
• Molecular Weight: 140.182
• European Community (EC) Number: 886-225-2
• NSC Number: 622
• DSSTox Substance ID: DTXSID10277069
• Mol file: 5333-31-3.mol

Synonyms:4-methylcyclohex-1-ene-1-carboxylic acid;5333-31-3;4-methylcyclohexene-1-carboxylic acid;4-METHYL-1-CYCLOHEXENE-1-CARBOXYLIC ACID;NSC622;SCHEMBL2874581;DTXSID10277069;NSC 622;NSC-622;4-Methylcyclohexene-1-carboxylicacid;MFCD19228163;AKOS006376244;4-methyl-cyclohexene-1-carboxylic acid;PB42993;4-methylcyclohex-1-ene-1-carboxylicacid;BS-43089;4-Methyl-1-cyclo-hexene-1-carboxylic acid;CS-0309596;D79048;EN300-149847

Chemical Property of 4-Methylcyclohex-1-ene-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.00787mmHg at 25°C
• Boiling Point: 248.2°Cat760mmHg
• Flash Point: 115.1°C
• Density: 1.078g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 170

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(=CC1)C(=O)O

Technology Process of 4-Methylcyclohex-1-ene-1-carboxylic acid

There total 27 articles about 4-Methylcyclohex-1-ene-1-carboxylic 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:

quinoline (91-22-5) + 1-bromo-4-methyl-cyclohexanecarboxylic acid → 4-methylcyclohex-1-ene-1-carboxylic acid (5333-31-3) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

low-melting 1-bromo-4-methyl-cyclohexanecarboxylic acid-(1);

Reference yield:

sulfuric acid (7664-93-9) + 1-hydroxy-4-methyl-cyclohexanecarboxylic acid (41248-15-1) → 4-methylcyclohex-1-ene-1-carboxylic acid (5333-31-3) + 1-methylcyclohexan-4-one (589-92-4)

Guidance literature:

1-oxy-hexahydro-p-toluic acid of melting point 130-132 degree;

Reference yield:

N-Benzoyl-4-methylcyclohex-1-enecarboxamide → 4-methylcyclohex-1-ene-1-carboxylic acid (5333-31-3) + benzoic acid (65-85-0,8013-63-6)

Guidance literature:

With potassium hydroxide; Heating;

upstream raw materials:

2-hydroxy-4-methyl-cyclohexanecarbonitrile

1-anilino-4-methyl-cyclohexanecarboxylic acid

sulfuric acid

1-hydroxy-4-methyl-cyclohexanecarboxylic acid

Downstream raw materials:

4-Methylcyclohex-1-enecarboxylic acid ethyl ester

4-methylcyclohexanecarboxylic acid

2-bromo-4-methyl-cyclohexanecarboxylic acid

p-Toluic acid

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