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Substance Name: (Acetyloxy)acetonitrile
RN: 1001-55-4
UNII: VM1DZ0X2D6
InChIKey: AJEHNBIPLQJTNU-UHFFFAOYSA-N

Molecular Formula

  • C4-H5-N-O2

Molecular Weight

  • 99.0885
 
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Names and Synonyms

Name of Substance

  • (Acetyloxy)acetonitrile

Synonyms

  • (Acetyloxy)acetonitrile
  • 2-Acetoxyacetonitrile
  • 3-03-00-00401 (Beilstein Handbook Reference)
  • Acetic acid cyanomethyl ester
  • Acetonitrile, (acetyloxy)-
  • Acetoxyacetonitrile
  • Acetyloxyacetonitrile
  • BRN 1745113
  • Cyanomethyl acetate
  • Glycolonitrile, acetate
  • Glycolonitrile, acetate (ester)
  • HSDB 2124
  • Kyanmethylester kyseliny octove
  • Kyanmethylester kyseliny octove [Czech]
  • NSC 71942
  • UNII-VM1DZ0X2D6

Systematic Names

  • Acetonitrile, (acetyloxy)- (9CI)
  • Glycolonitrile, acetate
  • Glycolonitrile, acetate (ester) (8CI)

Registry Numbers

CAS Registry Number

  • 1001-55-4

FDA UNII

  • VM1DZ0X2D6

System Generated Number

  • 0001001554

Structure Descriptors

InChI

1S/C4H5NO2/c1-4(6)7-3-2-5/h3H2,1H3

InChIKey

AJEHNBIPLQJTNU-UHFFFAOYSA-N

Smiles

O(C(C)=O)CC#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 43mL/kg (43mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.
rat LCLo inhalation 16ppm/4H (16ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.
rat LD50 oral 32mg/kg (32mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 200 deg C   EXP
log P (octanol-water) -0.600 (none)   EST
Water Solubility 2.10E+05 mg/L 25 EST
Vapor Pressure 0.361 mm Hg 25 EST
Henry's Law Constant 4.81E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.26E-13 cm3/molecule-sec 25 EST

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