Diethylene glycol dibenzoate

• Catalog Number: ACM120558-3
• Product Name: Diethylene glycol dibenzoate
• CAS: 120-55-8
• Category: Polymer/Macromolecule
• Description: Plasticizer
• Synonyms: Diglycol dibenzoate
• IUPAC Name: 2-(2-Benzoyloxyethoxy)ethyl benzoate
• Molecular Weight: 314.3
• Molecular Formula: C18H18O5
• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCCOCCOC(=O)C2=CC=CC=C2
• InChI: InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2
• InChI Key: NXQMCAOPTPLPRL-UHFFFAOYSA-N
• Boiling Point: 235-237 °C
• Melting Point: 24°C
• Flash Point: >110°C
• Density: 1.175
• Solubility: water, 25.61 mg/L @ 25 °C (est)
• Appearance: Clear liquid
• Alpha Sort: Diethylene glycol dibenzoate
• Assay: 0.9999
• Complexity: 322
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• EC Number: 204-407-6
• Exact Mass: 314.11542367
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 23
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• MDL Number: MFCD00020679
• Monoisotopic Mass: 314.11542367
• Packaging: 1 kg
• Physical State: Liquid
• Refractive Index: 1.544
• Rotatable Bond Count: 10
• Storage Conditions: Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
• Topological Polar Surface Area: 61.8 Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Viscosity: 75cp (20°C)
• WGK Germany: 2