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Substance Name: Diallyl maleate
RN: 999-21-3
UNII: 227660Q54M
InChIKey: ZPOLOEWJWXZUSP-WAYWQWQTSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H12-O4

Molecular Weight

  • 196.201
 
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Names and Synonyms

Results Name

  • Diallyl maleate

Name of Substance

  • Diallyl maleate

Synonyms

  • 4-02-00-02214 (Beilstein Handbook Reference)
  • AI3-02531
  • BRN 1725954
  • Diallyl maleate
  • Diallylester kyseliny maleinove
  • Diallylester kyseliny maleinove [Czech]
  • EINECS 213-658-0
  • NSC 4799
  • Sipomer DAM
  • UNII-227660Q54M

Systematic Names

  • 2-Butenedioic acid (2Z)-, 1,4-di-2-propen-1-yl ester
  • 2-Butenedioic acid (2Z)-, di-2-propenyl ester
  • 2-Butenedioic acid (Z)-, di-2-propenyl ester (9CI)
  • 2-Butenedioic acid, di-2-propenyl ester, (Z)-
  • Diallyl maleate
  • Maleic acid, diallyl ester

Registry Numbers

CAS Registry Number

  • 999-21-3

FDA UNII

  • 227660Q54M

Other Registry Numbers

  • 105323-33-9
  • 70798-72-0

System Generated Number

  • 0000999213

Structure Descriptors

InChI

1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-

InChIKey

ZPOLOEWJWXZUSP-WAYWQWQTSA-N

Smiles

C(=C/C(=O)OCC=C)\C(=O)OCC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 160mg/kg (160mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 3, 1961.
mouse LD50 oral 493mg/kg (493mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 3, 1961.
rabbit LD50 skin 1150mg/kg (1150mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
rat LD50 oral 300mg/kg (300mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.900 (none)   EST
Water Solubility 151 mg/L 25 EST
Vapor Pressure 0.00683 mm Hg 25 EXP
Henry's Law Constant 2.39E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.25E-11 cm3/molecule-sec 25 EST

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