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Substance Name: Allyl ether
RN: 557-40-4
UNII: GI3WXY29NQ
InChIKey: ATVJXMYDOSMEPO-UHFFFAOYSA-N

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 
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Names and Synonyms

Name of Substance

  • Allyl ether

Synonyms

  • 3,3'-Oxybis(1-propene)
  • 4-01-00-02086 (Beilstein Handbook Reference)
  • AI3-02894
  • Allylether
  • BRN 1736015
  • Diallyl ether
  • Diallylether
  • EINECS 209-174-4
  • Ether, diallyl
  • Ether, propenyl
  • NSC 7619
  • Propenyl ether
  • UNII-GI3WXY29NQ

Systematic Names

  • 1-Propene, 3,3'-oxybis-
  • Allyl ether (8CI)
  • Diallyl ether
  • Ether, diallyl

Superlist Names

  • 1-Propene, 3,3'-oxybis-
  • Allyl ether
  • Diallyl ether
  • Diallylether [UN2360] [Flammable liquid]
  • UN2360

Registry Numbers

CAS Registry Number

  • 557-40-4

FDA UNII

  • GI3WXY29NQ

System Generated Number

  • 0000557404

Structure Descriptors

InChI

1S/C6H10O/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

InChIKey

ATVJXMYDOSMEPO-UHFFFAOYSA-N

Smiles

O(CC=C)CC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 250mg/kg (250mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 3, Pg. 362, 1951.
rabbit LD50 skin 600mg/kg (600mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
rat LD50 oral 320mg/kg (320mg/kg)   Journal of Pharmaceutical Sciences. Vol. 63, Pg. 1068, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.00E+00 deg C   EXP
Boiling Point 94 deg C   EXP
log P (octanol-water) 1.760 (none)   EST
Water Solubility 9.36E+04 mg/L 25 EXP
Vapor Pressure 56.3 mm Hg 25 EST
Henry's Law Constant 1.49E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.40E-11 cm3/molecule-sec 25 EST

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