Diallyl Adipate

• Catalog Number: ACM-MO-2998041
• Product Name: Diallyl Adipate
• CAS: 2998-04-1
• Category: Heterocyclic Organic Compound
• Synonyms: Adipic Acid Diallyl Ester
• IUPAC Name: bis(prop-2-enyl) hexanedioate
• Molecular Weight: 226.27 g/mol
• Molecular Formula: C12H18O4
• Canonical SMILES: C=CCOC(=O)CCCCC(=O)OCC=C
• InChI: InChI=1S/C12H18O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-4H,1-2,5-10H2
• InChI Key: FPODCVUTIPDRTE-UHFFFAOYSA-N
• Boiling Point: 149 °C/9 mmHg
• Solubility: Insoluble in water.Soluble in methanol.
• Appearance: Colorless to Almost Colorless Clear Liquid
• Complexity: 219
• Condition To Avoid: Air Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 221-071-6
• Exact Mass: 226.120509g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Monoisotopic Mass: 226.120509g/mol
• NSC Number: 20973
• Physical State: Liquid
• Rotatable Bond Count: 11
• SpecificGravity: 1.02
• XLogP3: 1.9