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Substance Name: Dihexyl phthalate
RN: 84-75-3
UNII: 42MAH1QFG5
InChIKey: KCXZNSGUUQJJTR-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C20-H30-O4

Molecular Weight

  • 334.453
 
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Names and Synonyms

Name of Substance

  • Di-n-hexyl phthalate
  • Dihexyl phthalate

Synonyms

  • 1,2-Benzenedicarboxylic acid, dihexyl ester
  • 1,2-Benzenedioic acid dihexyl ester
  • 4-09-00-03179 (Beilstein Handbook Reference)
  • AI3-04274
  • AI3-04274 (USDA)
  • Bis(n-hexyl) phthalate
  • BRN 1886839
  • CCRIS 6192
  • Di-n-hexyl phthalate
  • Di-n-hexylphthalate
  • Dihexyl 1,2-benzenedicarboxylate
  • Dihexyl phthalate
  • Dihexylester kyseliny ftalove
  • Dihexylester kyseliny ftalove [Czech]
  • EINECS 201-559-5
  • Hexyl phthalate, 1,2-
  • HSDB 4490
  • N-Dihexyl phthalate
  • NSC 4817
  • Phthalic acid, dihexyl ester
  • UNII-42MAH1QFG5

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 1,2-dihexyl ester
  • 1,2-Benzenedicarboxylic acid, dihexyl ester
  • Dihexyl phthalate
  • Phthalic acid, dihexyl ester

Superlist Name

  • Dihexyl phthalate

Registry Numbers

CAS Registry Number

  • 84-75-3

FDA UNII

  • 42MAH1QFG5

System Generated Number

  • 0000084753

Structure Descriptors

InChI

1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3

InChIKey

KCXZNSGUUQJJTR-UHFFFAOYSA-N

Smiles

CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 unreported 12130mg/kg (12130mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(9), Pg. 26, 1990.
mouse LD50 unreported 22500mg/kg (22500mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(9), Pg. 26, 1990.
rabbit LD50 skin > 20mL/kg (20mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 29600mg/kg (29600mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 unreported > 33gm/kg (33000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(9), Pg. 26, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.80E+01 deg C   EXP
log P (octanol-water) 6.82 (none)   EXP
Water Solubility 0.24 mg/L 20 EXP
Vapor Pressure 1.40E-05 mm Hg 25 EXP
Henry's Law Constant 2.57E-05 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.