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Substance Name: Diisooctyl phthalate
RN: 27554-26-3
UNII: 6A121LGB40
InChIKey: IJFPVINAQGWBRJ-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formulas

  • C24-H38-O4
  • C40-H72-O4

Molecular Weight

  • 390.5602
 
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Names and Synonyms

Name of Substance

  • Diisooctyl phthalate

Synonyms

  • 1,2-Benzenedicarboxylic acid, diisooctyl ester
  • AI3-27697-X (USDA)
  • Corflex 880
  • Di-iso-octyl phthalate
  • Diisooctyl 1,2-benzenedicarboxylate
  • Diisooctyl phthalate
  • Diop
  • EINECS 248-523-5
  • Flexol Plasticizer DIOP
  • Genomoll 100
  • Hexaplas M/O
  • HSDB 588
  • Isooctyl phthalate
  • NSC 6381
  • Phthalic acid, bis(6-methylheptyl)ester
  • Phthalic acid, diisooctyl ester
  • UNII-6A121LGB40

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 1,2-diisooctyl ester
  • 1,2-Benzenedicarboxylic acid, diisooctyl ester
  • Diisooctyl phthalate
  • Phthalic acid, diisooctyl ester

Superlist Name

  • 1,2-Benzenedicarboxylic acid, diisooctyl ester

Registry Numbers

CAS Registry Number

  • 27554-26-3

FDA UNII

  • 6A121LGB40

Other Registry Numbers

  • 1330-91-2
  • 25103-50-8
  • 41375-90-0

System Generated Number

  • 0027554263

Structure Descriptors

InChI

1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3

InChIKey

IJFPVINAQGWBRJ-UHFFFAOYSA-N

Smiles

CC(C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2769mg/kg (2769mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 17(11), Pg. 51, 1973.
rabbit LD50 skin 12600uL/kg (12.6mL/kg)   Union Carbide Data Sheet. Vol. 6/11/1965,
rat LD50 oral 22gm/kg (22000mg/kg)   EHP, Environmental Health Perspectives. Vol. 3, Pg. 61, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.00E+01 deg C   EXP
Boiling Point 235 deg C   EXP
log P (octanol-water) 8.390 (none)   EST
Water Solubility 0.09 mg/L 25 EXP
Vapor Pressure 5.50E-06 mm Hg 25 EXP
Henry's Law Constant 3.14E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.06E-11 cm3/molecule-sec 25 EST

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