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Substance Name: Acetone cyanohydrin
RN: 75-86-5
UNII: CO1YOV1KFI
InChIKey: MWFMGBPGAXYFAR-UHFFFAOYSA-N

Classification Codes

  • Ceiling (5 mg/m3); skin
  • Reportable Quantity (RQ) = 10 lb
  • Threshold Planning Quantity (TPQ) = 1000 lb

Molecular Formula

  • C4-H7-N-O

Molecular Weight

  • 85.1053
 

Names and Synonyms

Name of Substance

  • Acetone cyanohydrin

Synonyms

  • 2-Cyano-2-hydroxypropane
  • 2-Cyano-2-propanol
  • 2-Hydroxy-2-methylpropionitrile
  • 2-Hydroxyisobutyronitrile
  • 2-Methyllactonitrile
  • 2-Propanone, cyanohydrin
  • 4-03-00-00785 (Beilstein Handbook Reference)
  • Acetoncianhidrinei
  • Acetoncianhidrinei [Romanian]
  • Acetoncianidrina
  • Acetoncianidrina [Italian]
  • Acetoncyaanhydrine
  • Acetoncyaanhydrine [Dutch]
  • Acetoncyanhydrin
  • Acetoncyanhydrin [German]
  • Acetone cyanohydrin
  • Acetonecyanhydrine
  • Acetonecyanhydrine [French]
  • Acetonkyanhydrin
  • Acetonkyanhydrin [Czech]
  • AI3-04257
  • alpha-Hydroxyisobutyronitrile
  • BRN 0605391
  • CCRIS 4657
  • Cyanhydrine d'acetone
  • Cyanhydrine d'acetone [French]
  • EC 200-909-4
  • EINECS 200-909-4
  • HSDB 971
  • Lactonitrile, 2-methyl-
  • NSC 131093
  • Propanenitrile, 2-hydroxy-2-methyl-
  • RCRA waste number P069
  • UNII-CO1YOV1KFI
  • USAF RH-8

Systematic Names

  • 2-Hydroxy-2-methylpropionitrile
  • Acetone cyanohydrin
  • alpha-Hydroxyisobutyronitrile
  • Lactonitrile, 2-methyl-
  • Propanenitrile, 2-hydroxy-2-methyl-

Superlist Names

  • 2-Methyllactonitrile
  • Acetone cyanhydrin
  • Acetone cyanohydrin
  • Acetone cyanohydrin, stabilized
  • Acetone cyanohydrin, stabilized [UN1541] [Poison]
  • Lactonitrile, 2-methyl-
  • Propanenitrile, 2-hydroxy-2-methyl-
  • RCRA waste no. P069
  • UN1541

Registry Numbers

CAS Registry Number

  • 75-86-5

FDA UNII

  • CO1YOV1KFI

Other Registry Number

  • 59182-86-4

System Generated Number

  • 0000075865

Structure Descriptors

InChI

1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3

InChIKey

MWFMGBPGAXYFAR-UHFFFAOYSA-N

Smiles

C(C#N)(C)(C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 9mg/kg (9mg/kg)   National Technical Information Service. Vol. PB214-270,
guinea pig LD50 skin 150mg/kg (150mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 8, Pg. 371, 1953.
mouse LC30 inhalation 70mg/m3/2H (70mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 15, 1982.
mouse LD50 intraperitoneal 1mg/kg (1mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 1898ug/kg (1.898mg/kg)   Toksikologicheskii Vestnik. Vol. (1), Pg. 29, 1994.
mouse LD50 unreported 2900ug/kg (2.9mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 31(6), Pg. 8, 1966.
rabbit LD50 oral 13500ug/kg (13.5mg/kg)   National Technical Information Service. Vol. PB214-270,
rabbit LD50 skin 17uL/kg (0.017mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 63ppm/4H (63ppm)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 18650ug/kg (18.65mg/kg)   Toksikologicheskii Vestnik. Vol. (1), Pg. 29, 1994.
rat LD50 subcutaneous 8500ug/kg (8.5mg/kg) BLOOD: OTHER CHANGES British Journal of Industrial Medicine. Vol. 19, Pg. 283, 1962.
rat LD50 unreported 13300ug/kg (13.3mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 31(6), Pg. 8, 1966.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.90E+01 deg C   EXP
Boiling Point 171 deg C   EXP
log P (octanol-water) -0.030 (none)   EST
Water Solubility 1.00E+06 mg/L   EXP
Vapor Pressure 0.341 mm Hg 25 EXP
Henry's Law Constant 1.97E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.17E-12 cm3/molecule-sec 25 EST

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