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Substance Name: Diisopropyl phthalate
RN: 605-45-8
UNII: BFC138Q4PX
InChIKey: QWDBCIAVABMJPP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-O4

Molecular Weight

  • 250.292
 
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Names and Synonyms

Results Name

  • Diisopropyl phthalate

Name of Substance

  • Di-I-propyl phthalate

Synonyms

  • 1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester
  • 4-09-00-03175 (Beilstein Handbook Reference)
  • AI3-01766
  • BRN 1972723
  • Diisopropyl phthalate
  • Diisopropyl phthalic acid
  • EINECS 210-086-3
  • NSC 15315
  • UNII-BFC138Q4PX

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 1,2-bis(1-methylethyl) ester
  • 1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester
  • Diisopropyl phthalate
  • Phthalic acid, diisopropyl ester

Registry Numbers

CAS Registry Number

  • 605-45-8

FDA UNII

  • BFC138Q4PX

System Generated Number

  • 0000605458

Structure Descriptors

InChI

1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3

InChIKey

QWDBCIAVABMJPP-UHFFFAOYSA-N

Smiles

c1(c(C(OC(C)C)=O)cccc1)C(OC(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1251mg/kg (1251mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
Journal of Pharmaceutical Sciences. Vol. 56, Pg. 1446, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.83 (none)   EXP
Water Solubility 332 mg/L 20 EXP
Vapor Pressure 2.63E-03 mm Hg 25 EST
Henry's Law Constant 6.95E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.63E-12 cm3/molecule-sec 25 EST

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