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Substance Name: Propanenitrile, 3-methoxy-
RN: 110-67-8
InChIKey: OOWFYDWAMOKVSF-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-N-O

Molecular Weight

  • 85.1053
 
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Names and Synonyms

Synonyms

  • 1-Cyano-2-methoxyethane
  • 2-Cyanoethyl methyl ether
  • 3-Methoxypropanenitrile
  • 3-Methoxypropannitril
  • 3-Methoxypropannitril [Czech]
  • 3-Methoxypropionitrile
  • 3-Methoxypropylnitrile
  • 4-03-00-00708 (Beilstein Handbook Reference)
  • AI3-25449
  • beta-Methoxypropionitril
  • beta-Methoxypropionitril [German]
  • beta-Methoxypropionitrile
  • beta-Methyoxypropionitrile
  • BRN 1739284
  • EINECS 203-790-7
  • Methyl beta-cyanoethyl ether
  • NSC 4090
  • Propionitrile, 3-methoxy-

Systematic Names

  • 3-Methoxypropiononitrile
  • Propanenitrile, 3-methoxy-
  • Propionitrile, 3-methoxy- (8CI)

Superlist Names

  • 3-Methoxypropionitrile
  • Propanenitrile, 3-methoxy-

Registry Numbers

CAS Registry Number

  • 110-67-8

System Generated Number

  • 0000110678

Structure Descriptors

InChI

1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3

InChIKey

OOWFYDWAMOKVSF-UHFFFAOYSA-N

Smiles

C(COC)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2900mg/kg (2900mg/kg)   Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. Vol. 19, Pg. 225, 1969.
mouse LD50 oral 3200mg/kg (3200mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 916, 1986.
rabbit LD50 skin > 10mL/kg (10mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 oral 4390mg/kg (4390mg/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 163 deg C   EXP
log P (octanol-water) -0.420 (none)   EST
Atmospheric OH Rate Constant 2.13E-12 cm3/molecule-sec 25 EST

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