Diethylene glycol dibenzoate

• CAS: 120-55-8
• Catalog Number: ACM120558-3
• Category: Polymer/Macromolecule
• Molecular Weight: 314.3
• Molecular Formula: C18H18O5
• Description: Plasticizer
• Synonyms: Diglycol dibenzoate
• IUPAC Name: 2-(2-Benzoyloxyethoxy)ethyl benzoate
• 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
• Active Content: 95%
• 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

Custom Q&A

What is the molecular formula of diethylene glycol dibenzoate?

The molecular formula of diethylene glycol dibenzoate is (C6H5COOCH2CH2)2O or C18H18O5.

What is the molecular weight of diethylene glycol dibenzoate?

The molecular weight of diethylene glycol dibenzoate is 314.3 g/mol.

What is the IUPAC name of diethylene glycol dibenzoate?

The IUPAC name of diethylene glycol dibenzoate is 2-(2-benzoyloxyethoxy)ethyl benzoate.

What is the InChI of diethylene glycol dibenzoate?

The InChI of diethylene glycol dibenzoate is 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.

What is the InChIKey of diethylene glycol dibenzoate?

The InChIKey of diethylene glycol dibenzoate is NXQMCAOPTPLPRL-UHFFFAOYSA-N.

What are some synonyms of diethylene glycol dibenzoate?

Some synonyms of diethylene glycol dibenzoate include Oxybis(ethane-2,1-diyl) dibenzoate, Benzo Flex 2-45, and Oxydiethylene dibenzoate.

What are some identifiers associated with diethylene glycol dibenzoate?

Some identifiers associated with diethylene glycol dibenzoate include CAS number 120-55-8, European Community (EC) Number 204-407-6, and UNII YAI66YDY1C.

What is the XLogP3 value of diethylene glycol dibenzoate?

The XLogP3 value of diethylene glycol dibenzoate is 3.4.

How many hydrogen bond acceptor counts does diethylene glycol dibenzoate have?

Diethylene glycol dibenzoate has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of diethylene glycol dibenzoate?

The topological polar surface area of diethylene glycol dibenzoate is 61.8Ų.