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Substance Name: Diheptyl phthalate
RN: 3648-21-3
UNII: IE05VO8P8P
InChIKey: JQCXWCOOWVGKMT-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C22-H34-O4

Molecular Weight

  • 362.5066
 
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Names and Synonyms

Name of Substance

  • Diheptyl phthalate

Synonyms

  • 1,2-Benzenedicarboxylic acid, diheptyl ester
  • 4-09-00-03180 (Beilstein Handbook Reference)
  • BRN 2336623
  • Di-n-heptyl phthalate
  • Di-n-Heptylphthalate
  • Diheptyl 1,2-benzenedicarboxylate
  • Diheptyl ester of phthalic acid
  • Diheptyl phthalate
  • EINECS 222-885-4
  • Heptyl phthalate
  • HSDB 344
  • N-Diheptyl phthalate
  • Phthalic acid, diheptyl ester
  • UNII-IE05VO8P8P

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 1,2-diheptyl ester
  • 1,2-Benzenedicarboxylic acid, diheptyl ester
  • Diheptyl phthalate
  • Phthalic acid, diheptyl ester

Superlist Name

  • Diheptyl phthalate

Registry Numbers

CAS Registry Number

  • 3648-21-3

FDA UNII

  • IE05VO8P8P

Other Registry Number

  • 275818-86-5

System Generated Number

  • 0003648213

Structure Descriptors

InChI

1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3

InChIKey

JQCXWCOOWVGKMT-UHFFFAOYSA-N

Smiles

CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 7.560 (none)   EST
Water Solubility 1.83E-03 mg/L 25 EST
Vapor Pressure 2.07E-06 mm Hg 25 EST
Henry's Law Constant 3.54E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.78E-11 cm3/molecule-sec 25 EST

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