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Substance Name: Didecyl phthalate
RN: 84-77-5
UNII: FI5FBN947Z
InChIKey: PGIBJVOPLXHHGS-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C28-H46-O4

Molecular Weight

  • 446.6674
 
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Names and Synonyms

Name of Substance

  • Didecyl phthalate

Synonyms

  • 1,2-Benzenedicarboxylic acid, didecyl ester
  • 4-09-00-03186 (Beilstein Handbook Reference)
  • AI3-02692
  • AI3-02692 (USDA)
  • Bis(n-decyl) phthalate
  • BRN 1893077
  • Decyl phthalate
  • Di-n-decyl phthalate
  • Didecyl 1,2-Benzenedicarboxylate
  • Didecyl phthalate
  • EINECS 201-561-6
  • HSDB 5248
  • NSC 15319
  • Phthalic acid, didecyl ester
  • UNII-FI5FBN947Z
  • Vinicizer 105
  • Vinysize 105

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 1,2-didecyl ester
  • 1,2-Benzenedicarboxylic acid, didecyl ester
  • Didecyl phthalate
  • Phthalic acid, didecyl ester

Superlist Name

  • Phthalic acid, didecyl ester

Registry Numbers

CAS Registry Number

  • 84-77-5

FDA UNII

  • FI5FBN947Z

System Generated Number

  • 0000084775

Structure Descriptors

InChI

1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3

InChIKey

PGIBJVOPLXHHGS-UHFFFAOYSA-N

Smiles

CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 2233mg/kg (2233mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmaceutical Sciences. Vol. 56, Pg. 1446, 1967.
rabbit LD50 skin 16800uL/kg (16.8mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral > 64mL/kg (64mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
log P (octanol-water) 10.5 (none)   EST
Water Solubility 0.33 mg/L 24 EXP
Vapor Pressure 7.89E-09 mm Hg 25 EST
Henry's Law Constant 2.81E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.62E-11 cm3/molecule-sec 25 EST

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