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Diethylene glycol dibenzoate

Catalog Number
ACM120558-3
Product Name
Diethylene glycol dibenzoate
Structure
CAS
120-55-8
Category
Plastic Additives
Synonyms
Diglycol dibenzoate
Description
Plasticizer
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
Purity
98%
Density
1.175
Solubility
water, 25.61 mg/L @ 25 °C (est)
Appearance
Clear liquid
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
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
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
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