Diisohexyl fumarate

Base Information

• Chemical Name: Diisohexyl fumarate
• CAS No.: 3294-12-0
• Molecular Formula: C16H28O4
• Molecular Weight: 284.3911
• DSSTox Substance ID: DTXSID6062963
• Nikkaji Number: J421.669E
• Mol file: 3294-12-0.mol

Synonyms:Diisohexyl fumarate;3294-12-0;2-Butenedioic acid (2E)-, bis(4-methylpentyl) ester;2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester;Fumaric acid diisohexyl ester;Fumaric acid, diisohexyl ester;SCHEMBL6903305;DTXSID6062963;SCHEMBL11748614

Chemical Property of Diisohexyl fumarate

Chemical Property:

• Vapor Pressure: 4.51E-05mmHg at 25°C
• Boiling Point: 350.1°Cat760mmHg
• Flash Point: 161.7°C
• PSA: 52.60000
• Density: 0.967g/cm³
• LogP: 3.50140
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 284.19875937
• Heavy Atom Count: 20
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCOC(=O)C=CC(=O)OCCCC(C)C
• Isomeric SMILES: CC(C)CCCOC(=O)/C=C/C(=O)OCCCC(C)C

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