Cyclohexanecarboxaldehyde, 2,2,6-trimethyl-

Base Information

• Chemical Name: Cyclohexanecarboxaldehyde, 2,2,6-trimethyl-
• CAS No.: 13155-57-2
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.252
• European Community (EC) Number: 236-094-7
• DSSTox Substance ID: DTXSID60866285
• Nikkaji Number: J317.839K
• Mol file: 13155-57-2.mol

Synonyms:Cyclohexanecarboxaldehyde, 2,2,6-trimethyl-;13155-57-2;2,2,6-Trimethylcyclohexanecarbaldehyde;2,2,6-trimethylcyclohexane-1-carbaldehyde;EINECS 236-094-7;2,2,6-Trimethylcyclohexanecarboxaldehyde;Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl;52844-21-0;SCHEMBL1276250;DTXSID60866285;1-formyl-2,6,6-trimethylcyclohexane;AKOS015906661;2,2,6-trimethyl-cyclohexane-1-carbaldehyde

Chemical Property of Cyclohexanecarboxaldehyde, 2,2,6-trimethyl-

Chemical Property:

• Vapor Pressure: 0.416mmHg at 25°C
• Boiling Point: 195.6°Cat760mmHg
• Flash Point: 63.8°C
• PSA: 17.07000
• Density: 0.899g/cm³
• LogP: 2.64770
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCC(C1C=O)(C)C

Technology Process of Cyclohexanecarboxaldehyde, 2,2,6-trimethyl-

There total 19 articles about Cyclohexanecarboxaldehyde, 2,2,6-trimethyl- 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:

3,7-dimethylocta-1,6-diene-3-yl acetate (1189-35-1) → (1R,6S)-2,2,6-trimethylcyclohexyl carbaldehyde (4350-74-7,13155-57-2)

Guidance literature:

With phosphoric acid; In toluene; at 5 ℃; for 3h; Reflux;

Reference yield:

3,7-dimethyl-octa-1,6-dien-1-yl acetate (57576-59-7) → (1R,6S)-2,2,6-trimethylcyclohexyl carbaldehyde (4350-74-7,13155-57-2)

Guidance literature:

With phosphoric acid; In toluene; for 3h; Reflux;

DOI:10.1124/mol.114.096560

Reference yield:

3,7-dimethyl-1,6-octadienyl acetate → (1R,6S)-2,2,6-trimethylcyclohexyl carbaldehyde (4350-74-7,13155-57-2)

Guidance literature:

With phosphoric acid; In toluene; at 100 ℃; for 2h; Yield given;

DOI:10.1002/hlca.19880710509

upstream raw materials:

2,6,6-trimethylcyclohex-1-enecarbaldehyde

1-Aethoxymethyl-2,2,6-trimethyl-cyclohexanol-⁽¹⁾

2-[1-Methoxy-meth-(E)-ylidene]-1,1,3-trimethyl-cyclohexane

hydrogenchloride

Downstream raw materials:

2,6,6-trimethylcyclohex-1-enecarbaldehyde

dihydro-α-ionone

all-trans-5-<2,6,6-Trimethyl-cyclohexenyl>-3-methyl-pentadien-(2,4)-saeure

2,2,6-trimethyl-cyclohexanecarboxylic acid