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Substance Name: Ethylene cyanohydrin
RN: 109-78-4
UNII: 7V8108WN46
InChIKey: WSGYTJNNHPZFKR-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C3-H5-N-O

Molecular Weight

  • 71.0785
 
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Names and Synonyms

Name of Substance

  • Ethylene cyanohydrin
  • Hydracrylonitrile

Synonyms

  • 2-Cyanoethanol
  • 2-Cyanoethyl alcohol
  • 2-Hydroxycyanoethane
  • 2-Hydroxyethyl cyanide
  • 2-Hydroxyethylkyanid
  • 2-Hydroxyethylkyanid [Czech]
  • 3-Hydroxypropanenitrile
  • 3-Hydroxypropionitrile
  • 4-03-00-00708 (Beilstein Handbook Reference)
  • Aethylencyanhydrin
  • Aethylencyanhydrin [German]
  • AI3-02152
  • beta-Cyanoethanol
  • beta-Hpn
  • beta-Hpn3
  • beta-Hydroxypropionitrile
  • BRN 0635773
  • CCRIS 6049
  • EC 203-704-8
  • EINECS 203-704-8
  • Ethylene cyanohydrin
  • Glycol cyanohydrin
  • HSDB 427
  • Hydracrylonitrile
  • Hydroxypropanenitrile
  • Methanolacetonitrile
  • NSC 2598
  • Propanenitrile, 3-hydroxy-
  • Propionitrile, 3-hydroxy-
  • UNII-7V8108WN46
  • USAF RH-7

Systematic Names

  • 3-Hydroxypropanenitrile
  • 3-Hydroxypropiononitrile
  • Ethylene cyanohydrin
  • Hydracrylonitrile
  • Propanenitrile, 3-hydroxy-

Superlist Names

  • Ethylene cyanohydrin
  • Propanenitrile, 3-hydroxy-

Registry Numbers

CAS Registry Number

  • 109-78-4

FDA UNII

  • 7V8108WN46

System Generated Number

  • 0000109784

Structure Descriptors

InChI

1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2

InChIKey

WSGYTJNNHPZFKR-UHFFFAOYSA-N

Smiles

C(C#N)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC33 inhalation 300mg/m3/2H (300mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 66, 1982.
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 1800mg/kg (1800mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 8, Pg. 371, 1953.
rabbit LD50 skin 5mL/kg (5mL/kg)   Union Carbide Data Sheet. Vol. 8/18/1967,
rabbit LDLo oral 900mg/kg (900mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 8, Pg. 371, 1953.
rat LD50 intraperitoneal 3200mg/kg (3200mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4875, 1982.
rat LD50 oral 3200mg/kg (3200mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4875, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.60E+01 deg C   EXP
Boiling Point 221 deg C   EXP
log P (octanol-water) -0.94 (none)   EXP
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 0.0802 mm Hg 25 EXP
Henry's Law Constant 7.50E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.51E-13 cm3/molecule-sec 25 EST

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