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Substance Name: Di-n-octyl phthalate
RN: 117-84-0
UNII: 8X3RJ0527W
InChIKey: MQIUGAXCHLFZKX-UHFFFAOYSA-N

Note

  • Plasticizer.

Molecular Formula

  • C24-H38-O4

Molecular Weight

  • 390.5602
 

Classification Codes

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant

Superlist Classification Code

  • Reportable Quantity (RQ) = 5000 lb
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Names and Synonyms

Name of Substance

  • Di-n-octyl phthalate

Synonyms

  • 1,2-Benzenedicarbonic acid, dioctyl ester
  • 1,2-Benzenedicarboxylic acid, dioctyl ester
  • 4-09-00-03180 (Beilstein Handbook Reference)
  • AI3-15071 (USDA)
  • Benzenedicarboxylic acid di-n-octyl ester
  • BRN 1915994
  • CCRIS 6196
  • Celluflex DOP
  • Di-n-octyl phthalate
  • Dicapryl phthalate
  • Dinopol NOP
  • Dioctyl 1,2-benzenedicarboxylate
  • Dioctyl o-benzenedicarboxylate
  • Dioctyl phthalate
  • Dioktylester kyseliny ftalove
  • Dioktylester kyseliny ftalove [Czech]
  • DNOP
  • EINECS 204-214-7
  • HSDB 1345
  • n-Octyl phthalate
  • NSC 15318
  • o-Benzenedicarboxylic acid, dioctyl ester
  • Octyl phthalate
  • Phthalic acid, dioctyl ester
  • Polycizer 162
  • PX-138
  • RCRA waste number U107
  • UNII-8X3RJ0527W
  • Vinicizer 85

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 1,2-dioctyl ester
  • 1,2-Benzenedicarboxylic acid, dioctyl ester
  • Dioctyl phthalate
  • Phthalic acid, dioctyl ester

Superlist Names

  • 1,2-Benzenedicarboxylic acid, dioctyl ester
  • Di-n-octyl phthalate
  • Dioctyl phthalate
  • Phthalic acid, dioctyl ester
  • RCRA waste no. U107

Registry Numbers

CAS Registry Number

  • 117-84-0

FDA UNII

  • 8X3RJ0527W

Other Registry Number

  • 8031-29-6

System Generated Number

  • 0000117840

Structure Descriptors

InChI

1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3

InChIKey

MQIUGAXCHLFZKX-UHFFFAOYSA-N

Smiles

CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 5gm/kg (5000mg/kg)   "Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63Vol. 2, Pg. 1906, 1963.
mouse LD50 intraperitoneal 65gm/kg (65000mg/kg)   Journal of the Society of Cosmetic Chemists. Vol. 28, Pg. 667, 1977.
mouse LD50 oral 6513mg/kg (6513mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 17(11), Pg. 51, 1973.
rat LD50 intraperitoneal > 50mL/kg (50mL/kg)   Journal of Pharmaceutical Sciences. Vol. 61, Pg. 51, 1972.
rat LD50 oral 47gm/kg (47000mg/kg)   Farmakologiya i Toksikologiya Vol. 39, Pg. 635, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 25 deg C   EXP
log P (octanol-water) 8.1 (none)   EXP
Water Solubility 0.02 mg/L 25 EXP
Vapor Pressure 1.00E-07 mm Hg 25 EXP
Henry's Law Constant 2.57E-06 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.