4-Methylhex-5-enal

Base Information

• Chemical Name: 4-Methylhex-5-enal
• CAS No.: 68235-57-4
• Molecular Formula: C7H12O
• Molecular Weight: 112.172
• European Community (EC) Number: 269-408-6
• DSSTox Substance ID: DTXSID501315893
• Nikkaji Number: J289.068B
• Mol file: 68235-57-4.mol

Synonyms:4-Methylhex-5-enal;4-Methyl-5-hexenal;68235-57-4;EINECS 269-408-6;5-Hexenal, 4-methyl-;SCHEMBL2162960;DTXSID501315893

Chemical Property of 4-Methylhex-5-enal

Chemical Property:

• Melting Point: -53.35°C (estimate)
• Refractive Index: 1.4294 (estimate)
• Boiling Point: 160.13°C (estimate)
• PSA: 17.07000
• Density: 0.8599 (estimate)
• LogP: 1.78760
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 112.088815002
• Heavy Atom Count: 8
• Complexity: 76.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC=O)C=C

Technology Process of 4-Methylhex-5-enal

There total 2 articles about 4-Methylhex-5-enal 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: 66.0%

→ 4-methyl-hex-5-enal (68235-57-4)

Guidance literature:

Reference yield:

1-methylcyclohexan-4-one (589-92-4) → 4-methyl-hex-5-enal (68235-57-4)

Guidance literature:

Irradiation;

DOI:10.1021/ja00745a022

Reference yield:

4-methyl-hex-5-enal (68235-57-4) → 4-methylhexan-1-ol (818-49-5)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄

2: H₂ / Pt

With lithium aluminium tetrahydride; hydrogen; platinum;

upstream raw materials:

1-methylcyclohexan-4-one

Downstream raw materials:

4-methylhexan-1-ol

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