3-[(Z)-2,4,4-trimethylpent-1-enyl]oxolane-2,5-dione

Base Information

• Chemical Name: 3-[(Z)-2,4,4-trimethylpent-1-enyl]oxolane-2,5-dione
• CAS No.: 72198-16-4
• Molecular Formula: C12H18O3
• Molecular Weight: 210.2695
• NSC Number: 44207
• DSSTox Substance ID: DTXSID90418019

Synonyms:NSC44207;72198-16-4;DTXSID90418019;NSC-44207

Chemical Property of 3-[(Z)-2,4,4-trimethylpent-1-enyl]oxolane-2,5-dione

Chemical Property:

• Vapor Pressure: 0.000425mmHg at 25°C
• Boiling Point: 315.9°Cat760mmHg
• Flash Point: 139.2°C
• Density: 1.1g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 210.125594432
• Heavy Atom Count: 15
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1CC(=O)OC1=O)CC(C)(C)C
• Isomeric SMILES: C/C(=C/C1CC(=O)OC1=O)/CC(C)(C)C

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