Di(ethylene glycol)dibenzoate

Product Information

Molecular Formula:
C18H18O5
Molecular Weight:
314.34
Description
Plasticizer
Synonyms
Diethyleneglycoldibenzoate; 120-55-8; BenzoFlex2-45; Diglycoldibenzoate; Ethanol,2,2'-oxybis-,dibenzoate; Dibenzoyldiethyleneglycolester
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 (7 mmHg)
Melting Point
24°C
Flash Point
235.4 °F
Purity
95%
Density
1.175
Solubility
water, 25.61 mg/L @ 25 °C (est)
Appearance
Clear liquid
Application
Used as plasticizer for resins (cellulose acetate butyrate, polyvinyl acetate, cellulose nitrate, ethyl cellulose, and polymethyl methacrylate) and a stabilizer for perfumes.
Storage
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.
Refractive Index
n20/D 1.544 (lit.)
Vapor Pressure
0.09 [mmHg]

Safety Information

Hazards
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
P337+P313:
If eye irritation persists:
Get medical advice/attention.

Computed Properties

XLogP3
3.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
10
Exact Mass
314.11542367 g/mol
Monoisotopic Mass
314.11542367 g/mol
Topological Polar Surface Area
61.8Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
322
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-114085144-A Method for synthesizing plasticizer 2021-12-09
CN-114058063-A Preparation process of rubber-plastic heat-insulating material 2021-12-08
CN-113930206-A High-temperature-resistant adhesive and preparation method and application thereof 2021-12-06
CN-113980339-A Foamable material for supporting packaging structure and preparation method thereof 2021-11-29
CN-114031738-A Polyurethane grouting material capable of repeatedly expanding in water and preparation method thereof 2021-11-25
CN-113943500-A Modified pyrolytic carbon black and preparation method and application thereof 2021-11-24
CN-114014650-A Zirconia ceramic injection molding catalytic degreasing feed and preparation method and application thereof 2021-11-10
CN-113991181-A High-rate electrolyte suitable for unmanned aerial vehicle lithium battery 2021-11-09
CN-113817178-A Low-oil-permeability high-heat-conductivity heat-conducting gel and preparation method thereof 2021-10-18
CN-113823889-A Suppressor and preparation method thereof 2021-10-15

Literatures

PMID Publication Date Title Journal
29723837 2018-09-15 Effects of diethylene glycol dibenzoate and Bisphenol A on the lipid metabolism of Danio rerio The Science of the total environment
29410257 2018-04-01 Plasticizers used in food-contact materials affect adipogenesis in 3T3-L1 cells The Journal of steroid biochemistry and molecular biology
28843100 2017-10-01 Differential tissue regulation of peroxisome proliferator-activated receptor α (PPARα) and cannabinoid receptor 1 (CB1) gene transcription pathways by diethylene glycol dibenzoate (DEGB): preliminary observations in a seabream (Sparus aurata) in vivo model Environmental toxicology and pharmacology
19665165 2009-09-01 Mechanisms of biodegradation of dibenzoate plasticizers Chemosphere
19155169 2009-06-01 Selective separation of virgin and post-consumer polymers (PET and PVC) by flotation method Waste management (New York, N.Y.)
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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