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Substance Name: Diethylene glycol dibenzoate
RN: 120-55-8
UNII: YAI66YDY1C
InChIKey: NXQMCAOPTPLPRL-UHFFFAOYSA-N

Note

  • A plasticizer.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C18-H18-O5

Molecular Weight

  • 314.3352
 
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Names and Synonyms

Results Name

  • Diethylene glycol dibenzoate

Name of Substance

  • Diethylene glycol dibenzoate
  • Diethylene glycol, dibenzoate
  • Polyethylene glycol 100 dibenzoate
  • Polyoxyethylene (2) dibenzoate

Synonyms

  • 4-09-00-00356 (Beilstein Handbook Reference)
  • AI3-02293
  • Benzo Flex 2-45
  • Benzoic acid, diester with diethylene glycol
  • Benzoyloxyethoxyethyl benzoate
  • BRN 2509507
  • Dibenzoyldiethyleneglycol ester
  • Diethylene glycol dibenzoate
  • EC 204-407-6
  • EINECS 204-407-6
  • Ethanol, 2,2'-oxybis-, dibenzoate
  • HSDB 5587
  • UNII-YAI66YDY1C

Systematic Names

  • Diethylene glycol, dibenzoate
  • Ethanol, 2,2'-oxybis-, 1,1'-dibenzoate
  • Ethanol, 2,2'-oxybis-, dibenzoate
  • Oxydiethylene dibenzoate

Superlist Name

  • Diethylene glycol, dibenzoate

Registry Numbers

CAS Registry Number

  • 120-55-8

FDA UNII

  • YAI66YDY1C

Other Registry Number

  • 773104-50-0

System Generated Number

  • 0000120558

Structure Descriptors

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

InChIKey

NXQMCAOPTPLPRL-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)OCCOCCOC(=O)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 20mL/kg (20mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 2830mg/kg (2830mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 33.5 deg C   EXP
Boiling Point 225 deg C   EXP
log P (octanol-water) 3.040 (none)   EST
Water Solubility 193 mg/L 25 EST
Vapor Pressure 0.096 mm Hg 25 EST
Henry's Law Constant 3.00E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.90E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.