bis(7-methyloctyl) (E)-but-2-enedioate

Base Information

• Chemical Name: bis(7-methyloctyl) (E)-but-2-enedioate
• CAS No.: 53817-54-2
• Molecular Formula: C22H40 O4
• Molecular Weight: 368.5506
• DSSTox Substance ID: DTXSID3068883
• Mol file: 53817-54-2.mol

Synonyms:2-Butenedioic acid (2Z)-, diisononyl ester;SCHEMBL3677902;SCHEMBL3677904;DTXSID3068883

Chemical Property of bis(7-methyloctyl) (E)-but-2-enedioate

Chemical Property:

• Vapor Pressure: 7.33E-08mmHg at 25°C
• Boiling Point: 437.7°Cat760mmHg
• Flash Point: 203.8°C
• PSA: 52.60000
• Density: 0.937g/cm³
• LogP: 5.84200
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 368.29265975
• Heavy Atom Count: 26
• Complexity: 350

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCCOC(=O)C=CC(=O)OCCCCCCC(C)C
• Isomeric SMILES: CC(C)CCCCCCOC(=O)/C=C/C(=O)OCCCCCCC(C)C

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