Methyl 4-methyl-5-oxohexanoate

Base Information

• Chemical Name: Methyl 4-methyl-5-oxohexanoate
• CAS No.: 36045-56-4
• Molecular Formula: C₈H₁₄O₃
• Molecular Weight: 158.197
• DSSTox Substance ID: DTXSID40508616
• Nikkaji Number: J132.487J
• Mol file: 36045-56-4.mol

Synonyms:methyl 4-methyl-5-oxohexanoate;36045-56-4;SCHEMBL11062326;DTXSID40508616

Chemical Property of Methyl 4-methyl-5-oxohexanoate

Chemical Property:

• Refractive Index: 1.4288
• Boiling Point: 223.28°C (rough estimate)
• Density: 0.9880
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 158.094294304
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)OC)C(=O)C

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