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Substance Name: Diisohexyl phthalate
RN: 146-50-9
InChIKey: ALEROMXYYSQFLX-UHFFFAOYSA-N

Molecular Formula

  • C20-H30-O4

Molecular Weight

  • 334.453
 
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Names and Synonyms

Results Name

  • Diisohexyl phthalate

Synonyms

  • Bis(4-methylpentyl) 1,2-benzenedicarboxylate
  • Diisohexyl phthalate

Systematic Names

  • 1,2-Benzenedicarboxylic acid, bis(4-methylpentyl) ester
  • 1,2-Benzenedicarboxylic acid, diisohexyl ester

Registry Numbers

CAS Registry Number

  • 146-50-9

System Generated Number

  • 0000146509

Structure Descriptors

InChI

1S/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3

InChIKey

ALEROMXYYSQFLX-UHFFFAOYSA-N

Smiles

CC(C)CCCOC(=O)c1ccccc1C(=O)OCCCC(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.430 (none)   EST
Water Solubility 0.025 mg/L 25 EST
Vapor Pressure 4.28E-05 mm Hg 25 EST
Henry's Law Constant 3.80E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.49E-11 cm3/molecule-sec 25 EST

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