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Substance Name: Diundecyl phthalate
RN: 3648-20-2
UNII: RQV46346WV
InChIKey: QQVHEQUEHCEAKS-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C30-H50-O4

Molecular Weight

  • 474.721
 
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Names and Synonyms

Name of Substance

  • Diundecyl phthalate

Synonyms

  • 1,2-Benzenedicarboxylic acid, diundecyl ester
  • BRN 1894045
  • CCRIS 6198
  • Di-711-phthalate
  • Di-n-undecyl phthalate
  • Diundecyl phthalate
  • EINECS 222-884-9
  • HSDB 5132
  • Santicizer 711
  • UNII-RQV46346WV

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 1,2-diundecyl ester
  • 1,2-Benzenedicarboxylic acid, diundecyl ester
  • Diundecyl phthalate
  • Phthalic acid, diundecyl ester

Superlist Names

  • Diundecyl phthalate
  • Phthalic acid, diundecyl ester

Registry Numbers

CAS Registry Number

  • 3648-20-2

FDA UNII

  • RQV46346WV

Other Registry Number

  • 154766-25-3

System Generated Number

  • 0003648202

Structure Descriptors

InChI

1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3

InChIKey

QQVHEQUEHCEAKS-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 15800mg/kg (15800mg/kg)   Monsanto Co. Toxicity Information. Vol. 11/4/1975,
rabbit LD skin > 10gm/kg (10000mg/kg)   Monsanto Co. Toxicity Information. Vol. 11/4/1975,
rat LC inhalation > 6040mg/m3/6H (6040mg/m3) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA Monsanto Co. Toxicity Information. Vol. 11/4/1975,
rat LD oral > 20gm/kg (20000mg/kg)   Monsanto Co. Toxicity Information. Vol. 11/4/1975,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 11.49 (none)   EST
Water Solubility 1.11 mg/L 20 EXP
Vapor Pressure 1.22E-09 mm Hg 25 EST
Henry's Law Constant 5.60E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.91E-11 cm3/molecule-sec 25 EST

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