4-Methylcyclohex-3-ene-1-carboxylic acid

Base Information

• Chemical Name: 4-Methylcyclohex-3-ene-1-carboxylic acid
• CAS No.: 4342-60-3
• Molecular Formula: C8H12O2
• Molecular Weight: 140.182
• Hs Code.: 2916209090
• European Community (EC) Number: 806-956-2
• NSC Number: 99286
• Nikkaji Number: J624.033J
• Mol file: 4342-60-3.mol

Synonyms:4-methylcyclohex-3-ene-1-carboxylic acid;4342-60-3;4-methylcyclohex-3-enecarboxylic acid;4-METHYL-3-CYCLOHEXENE-1-CARBOXYLIC ACID;NSC 99286;3-Cyclohexene-1-carboxylic acid, 4-methyl-;NCIOpen2_002007;SCHEMBL1037667;NSC99286;4-methylcyclohex-3-enecarboxylicacid;MFCD02238356;NSC-99286;AKOS006380499;SB47505;SS-4738;1-Methylcyclohex-1-en-4-carboxylic acid;4-Methyl-3-cyclohexene-1-carboxylic acid #;CS-0152877;M2492;EN300-102169;Z1205493665

Chemical Property of 4-Methylcyclohex-3-ene-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.00644mmHg at 25°C
• Melting Point: 98.0 to 102.0 °C
• Boiling Point: 251.4°C at 760 mmHg
• PKA: 4.68±0.40(Predicted)
• Flash Point: 116.5°C
• PSA: 37.30000
• Density: 1.078g/cm³
• LogP: 1.81740
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• 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:

97% ^*data from raw suppliers

4-Methylcyclohex-3-ene-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC(CC1)C(=O)O
• Uses: 4-Methylcyclohex-3-ene-1-carboxylic acid is useful as a replacement for cumin oil and/or cumene aldehyde in perfumes used with fabric softeners, cleaning compounds, shampoos e.t.c

Technology Process of 4-Methylcyclohex-3-ene-1-carboxylic acid

There total 42 articles about 4-Methylcyclohex-3-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: 98.0%

acrylic acid (79-10-7) + isoprene (78-79-5,9003-31-0) → 4-methylcyclohex-3-enecarboxylic acid (4342-60-3)

Guidance literature:

With silver(I) acetate; boron trichloride; In neat (no solvent); at 20 ℃; for 22h; Reagent/catalyst; Sealed tube;

Reference yield: 62.0%

3-[(4'-methylcyclohex-3'-ene-1'-yl)carbonyl]oxazolidin-2-one (151153-99-0) → 4-methylcyclohex-3-enecarboxylic acid (4342-60-3)

Guidance literature:

With lithium hydroxide; dihydrogen peroxide; In pentane; at 20 ℃; for 15h;

DOI:10.1039/b605244d

Reference yield: 59.0%

acrylic acid (79-10-7) + isoprene (78-79-5,9003-31-0) → 4-methylcyclohex-3-enecarboxylic acid (4342-60-3) + (+/-)-3-methylcyclohex-3-ene-1-carboxylic acid (54385-25-0)

Guidance literature:

at 95 ℃; for 2h; Yields of byproduct given;

DOI:10.1016/S0040-4039(00)82147-4

upstream raw materials:

(+-)-4-acetyl-1-methylcyclohexene

3-hydroxy-4-methylbenzoic acid

4c-hydroxy-4t-methyl-cyclohexane-r-carboxylic acid

4t-hydroxy-4c-methyl-cyclohexane-r-carboxylic acid

Downstream raw materials:

4-methyl-cyclohex-3-enecarboxylic acid ethyl ester

(1S*,1R*)-1-(1,5-dimethyl-1-hydroxy-4-hexene)-4-methyl-3-cyclohexenecarboxylic acid

(4-methylcyclohex-3-en-1-yl)methanol

4-Methyl-N-methyl-3-cyclohexencarboxamid