1-Octen-3-one, (E)-

Base Information

• Chemical Name: 1-Octen-3-one, (E)-
• CAS No.: 74975-54-5
• Molecular Formula: C₁₅H₂₀O
• Molecular Weight: 216.323
• NSC Number: 298202
• DSSTox Substance ID: DTXSID80421714

Synonyms:NSC298202;74975-54-5;1-Octen-3-one, (E)-;DTXSID80421714;NSC-298202

Chemical Property of 1-Octen-3-one, (E)-

Chemical Property:

• Vapor Pressure: 0.000133mmHg at 25°C
• Boiling Point: 333.9°Cat760mmHg
• Flash Point: 125.2°C
• Density: 0.953g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 216.151415257
• Heavy Atom Count: 16
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C)C(=O)C=CC1=CC=CC=C1
• Isomeric SMILES: CCCCC(C)C(=O)/C=C/C1=CC=CC=C1

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