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Home > Encyclopedia > Di-O-benzoyldiethylene glycol

Di-O-benzoyldiethylene glycol

Di-O-benzoyldiethylene glycol structure

Di-O-benzoyldiethylene glycol 

structure
  • CAS No:

    120-55-8

  • Formula:

    C18H18O5

  • Chemical Name:

    Di-O-benzoyldiethylene glycol

  • Synonyms:

    Ethanol,2,2′-oxybis-,1,1′-dibenzoate;Diethylene glycol,dibenzoate;Ethanol,2,2′-oxybis-,dibenzoate;Di-O-benzoyldiethylene glycol;2-[2-(Benzoyloxy)ethoxy]ethyl benzoate;Benzoflex S 45;Benzoflex 2-45;Benzoflex 2-42;K-Flex DE;Flexol 2GB;Monocizer PB 3;PB 3;Velsicol 2-45;PB 3A;Monocizer PB 3A;DEDB;773104-50-0

  • Categories:

    Cosmetic Ingredient  >  Hair Conditioning

Description

CRYSTALS.


Liquid|CRYSTALS.

Di-O-benzoyldiethylene glycol Basic Attributes

314.33300

314.33

204-407-6

YAI66YDY1C

0447

DTXSID0026967

LIQUID

2916399090

Characteristics

61.83000

2.71700

Liquid

1.2 g/cm3

-28 °C

225-227 °C @ Press: 3 Torr

>110ºC

1.544

Solubility in water: miscible

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition so

Relative vapour density (air = 1): 9.4

Diethylene glycol dibenzoate|D: Other compounds that may form peroxides|Kelly

The vapour is heavier than air.

Safety Information

NONH for all modes of transport

2

ID6650000

Ventilation along the floor.

P273, P391, P501

H411

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Combustible.

Not Classified

"ALCOHOL" FOAM. WATER OR FOAM MAY CAUSE FROTHING.

Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.

Ventilation along the floor.

Evaporation at 20 °C is negligible; a nuisance-causing concentration of airborne particles can, however, be reached quickly.

The substance is mildly irritating to the eyes and skin.

NO open flames.

PREVENT DISPERSION OF DUST!

Protective gloves.

Wear safety spectacles.

| 0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.| 1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.| 0 - Materials that in themselves are normally stable, even under fire conditions.

Toxicity

Diethylene glycol dibenzoate's production and use as an plasticizer(1) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 540(SRC), determined from a structure estimation method(2), indicates that diethylene glycol dibenzoate will have low mobility in soil(SRC). Volatilization of diethylene glycol dibenzoate should not be important from moist soil surfaces(SRC) given an estimated Henry's Law constant of 3X10-12 atm-cu m/mole(SRC), using a recommended regression equation(3). Volatilization from dry soil surfaces(SRC) is not expected based on an estimated vapor pressure of 0.09 mm Hg(SRC), determined from a fragment constant method(4). No data are available to determine the rate or importance of biodegradation of diethylene glycol dibenzoate in soil(SRC).|AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 540(SRC), determined from a structure estimation method(2), indicates that diethylene glycol dibenzoate should adsorb to suspended solids and sediment in the water(SRC). Diethylene glycol dibenzoate will be essentially non-volatile from water surfaces(1,SRC) based on an estimated Henry's Law constant of 3X10-12 atm-cu m/mole(SRC), developed using a fragment constant estimation method(3). According to a classification scheme(5), an estimated BCF value of 120(1,SRC), from an estimated log Kow(4,SRC), suggests that bioconcentration in aquatic organisms is high(SRC). Diethylene glycol dibenzoate has an estimated base-catalyzed hydrolysis rate of 0.16 L/mol-sec at a pH of 8, which corresponds to a half-life of 49 days at a pH of 8 and 1.3 years at a pH of 7(6,SRC). Insufficient data are available to determine the rate or importance of biodegradation of diethylene glycol dibenzoate in water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), diethylene glycol dibenzoate, which has an estimated vapor pressure of 0.09 mm Hg at 25 °C(2,SRC), will exist solely as a vapor in the ambient atmosphere. Vapor-phase diethylene glycol dibenzoate is degraded in the atmosphere by reaction with photochemically produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be about 20 hours(3,SRC). Particulate-phase diethylene glycol dibenzoate may be physically removed from the air by wet and dry deposition(SRC).

The rate constant for the vapor-phase reaction of diethylene glycol dibenzoate with photochemically produced hydroxyl radicals has been estimated as 1.8X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 20 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). Diethylene glycol dibenzoate has an estimated base-catalyzed hydrolysis rate of 0.16 L/mol-sec at a pH of 8, which corresponds to a half-life of 49 days at a pH of 8 and 1.3 years at a pH of 7(2,SRC).

An estimated BCF value of 120 was calculated for diethylene glycol dibenzoate(SRC), using an estimated log Kow of 3.04(1,SRC) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is high(SRC).

Using a structure estimation method based on molecular connectivity indices(1), the Koc for diethylene glycol dibenzoate can be estimated to be about 540(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that diethylene glycol dibenzoate has low mobility in soil(SRC).

The Henry's Law constant for diethylene glycol dibenzoate is estimated as 3X10-12 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that diethylene glycol dibenzoate will be essentially nonvolatile from water surfaces(2,SRC). Diethylene glycol dibenzoate's estimated values for vapor pressure, 0.09 mm Hg(3,SRC) and Henry's Law constant(1,SRC) indicate that volatilization from dry and moist soil surfaces should not occur(SRC).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 25,414 workers (10,937 of these are female) are potentially exposed to diethylene glycol dibenzoate in the USA(1). Occupational exposure may be through inhalation and dermal contact with this compound(SRC).

Drug Information

Fresh air, rest.


Rinse skin with plenty of water or shower.


First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

diethylene glycol dibenzoate

The substance can be absorbed into the body by inhalation.

Redness.


Redness.

Di-O-benzoyldiethylene glycol Use and Manufacturing

Methods of Manufacturing

REACTION OF DIETHYLENE GLYCOL WITH BENZOIC ACID

Uses

This product is a plasticizer for polyvinyl chloride, polyvinyl acetate and other resins. It has strong solubility, good compatibility, low volatility, oil resistance, water resistance, light resistance, and good pollution resistance. It is suitable for processing Polyvinyl chloride floor materials, plastisol, polyvinyl acetate adhesives and synthetic rubber, etc. Used as part of the plasticizer for PVC resin. This product is a plasticizer for polyvinyl chloride, polyvinyl acetate and other resins. It has good solubility, good compatibility, low volatility, oil resistance, water resistance, light resistance, and Features such as good pollution. It is suitable for processing PVC floor materials, plastisols, polyester ethyl ester adhesives and synthetic rubbers. Safety precautions This product has low toxicity. Rat oral LD505.44g/kg.


Adhesives and sealant chemicals


Adhesives and sealants

Production

10,000,000 - 50,000,000 lb|(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS|(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Adhesive manufacturing|Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate: ACTIVE|AS A STABILIZER FOR PERFUMES.

DIETHYLENE GLYCOL, DIBENZOATE DETERMINATION WAS MADE BY HIGH-PRESSURE LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY ANALYSIS OF SURFACE & WASTEWATER.

Cosmetics -> Emollient; Plasticiser

Computed Properties

Molecular Weight:314.3
XLogP3:3.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:314.11542367
Monoisotopic Mass:314.11542367
Topological Polar Surface Area:61.8
Heavy Atom Count:23
Complexity:322
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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