4-Methylcyclohexane-1-carbaldehyde

Base Information

• Chemical Name: 4-Methylcyclohexane-1-carbaldehyde
• CAS No.: 33242-79-4
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• European Community (EC) Number: 861-532-4
• DSSTox Substance ID: DTXSID20550936
• Nikkaji Number: J1.578.685J,J2.110.898G
• Mol file: 33242-79-4.mol

Synonyms:4-methylcyclohexane-1-carbaldehyde;33242-79-4;4-methylcyclohexanecarbaldehyde;7133-05-3;(1r,4r)-4-Methylcyclohexane-1-carbaldehyde;trans-4-methylcyclohexanecarbaldehyde;(1r,4r)-4-methylcyclohexanecarbaldehyde;SCHEMBL740024;SCHEMBL1457915;4-Methyl-cyclohexanecarbaldehyde;4-methylcyclohexanecarboxaldehyde;SCHEMBL12653909;SCHEMBL15838938;SCHEMBL16977495;DTXSID20550936;XZUAUDZGDPLDLH-UHFFFAOYSA-N;XZUAUDZGDPLDLH-ZKCHVHJHSA-N;MFCD24675534;trans-4-methyl-cyclohexanecarbaldehyde;AKOS014103384;(trans)-4-methylcyclohexanecarbaldehyde;SY344721;CS-0264766;EN300-94400;EN300-268590;G59195;A1-31690;Z1250055138;Z1511765971

Chemical Property of 4-Methylcyclohexane-1-carbaldehyde

Chemical Property:

• PSA: 17.07000
• LogP: 2.01160
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 90.7

Purity/Quality:

97% ^*data from raw suppliers

4-methylcyclohexane-1-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(CC1)C=O

Technology Process of 4-Methylcyclohexane-1-carbaldehyde

There total 22 articles about 4-Methylcyclohexane-1-carbaldehyde 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: 100.0%

(4-methylcyclohexyl)methanol (34885-03-5) → 4-methylcyclohexanecarbaldehyde (33242-79-4)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 2.5h;

Reference yield: 82.0%

1-(methoxymethylene)-4-methyl-cyclohexane → 4-methylcyclohexanecarbaldehyde (33242-79-4)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 70 ℃; for 1h;

Reference yield: 57.0%

Formic acid 4-methyl-cyclohexylidenemethyl ester (113388-85-5) → 4-methylcyclohexanecarbaldehyde (33242-79-4)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; for 22h; Ambient temperature;

DOI:10.1016/S0040-4020(01)86890-3

upstream raw materials:

ethyl 6-methyl-1-oxaspiro[2.5]octane-2-carboxylate

4-methyl-cyclohex-3-enecarbaldehyde

(4-methylcyclohexyl)methanol

4-methyl-cyclohexanecarbaldehyde diethylacetal

Downstream raw materials:

1-bromo-4-methyl-cyclohexanecarbaldehyde

2,4-dimethyl-5-(4-methylcyclohexyl)pentanal

1-(4-methylcyclohexyl)propan-1-ol