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Substance Name: Diallyl phthalate
RN: 131-17-9
UNII: F79L0UL6ST
InChIKey: QUDWYFHPNIMBFC-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C14-H14-O4

Molecular Weight

  • 246.2606
 
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Names and Synonyms

Name of Substance

  • Diallyl phthalate

Synonyms

  • 1,2-Benzenedicarboxylic acid, di-2-propenyl ester
  • 4-09-00-03188 (Beilstein Handbook Reference)
  • AI3-02574
  • Allyl phthalate
  • BRN 1880877
  • CCRIS 1361
  • Dapon 35
  • Dapon R
  • Di-2-propenyl 1,2-benzenedicarboxylate
  • Diallyl phthalate
  • Diallylester kyseliny ftalove
  • Diallylester kyseliny ftalove [Czech]
  • EC 205-016-3
  • EINECS 205-016-3
  • HSDB 4169
  • NCI-C50657
  • NSC 7667
  • o-Phthalic acid, diallyl ester
  • Phthalic acid, diallyl ester
  • UNII-F79L0UL6ST

Systematic Names

  • 1,2-Benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester
  • 1,2-Benzenedicarboxylic acid, di-2-propenyl ester
  • Diallyl phthalate
  • Diallylphthalate
  • Phthalic acid, diallyl ester (8CI)

Superlist Names

  • 1,2-Benzenedicarboxylic acid, di-2-propenyl ester
  • Diallyl phthalate
  • Phthalic acid, diallyl ester

Registry Numbers

CAS Registry Number

  • 131-17-9

FDA UNII

  • F79L0UL6ST

Other Registry Numbers

  • 124743-27-7
  • 143318-73-4

System Generated Number

  • 0000131179

Structure Descriptors

InChI

1S/C14H14O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h3-8H,1-2,9-10H2

InChIKey

QUDWYFHPNIMBFC-UHFFFAOYSA-N

Smiles

C=CCOC(=O)c1ccccc1C(=O)OCC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo oral 800mg/kg (800mg/kg)   National Technical Information Service. Vol. OTS0521092,
mouse LDLo oral 681mg/kg (681mg/kg)   National Toxicology Program Technical Report Series. Vol. NTP-TR-242, Pg. 1983,
rabbit LD50 oral 1700mg/kg (1700mg/kg)   "Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63Vol. 2, Pg. 1904, 1963.
rabbit LD50 skin 3300mg/kg (3300mg/kg)   National Technical Information Service. Vol. OTS0521092,
rabbit LDLo subcutaneous 1gm/kg (1000mg/kg) LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 5, Pg. 191, 1946.
rat LC50 inhalation 5200mg/m3/1H (5200mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
National Technical Information Service. Vol. OTS0521092,
rat LD50 oral 656mg/kg (656mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Toxicology Program Technical Report Series. Vol. NTP-TR-284, Pg. 1985,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.23 (none)   EXP
Water Solubility 182 mg/L 20 EXP
Vapor Pressure 1.16E-03 mm Hg 25 EST
Henry's Law Constant 3.86E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.57E-11 cm3/molecule-sec 25 EST

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