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75-86-5

75-86-5 structural image
Product Name: Acetone cyanohydrin
Formula: C4H7NO
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Acetone cyanohydrin, stabilized appears as a colorless liquid. Flash point 165 °F. Lethal by inhalation and highly toxic or lethal by skin absorption. Density 7.8 lb / gal (less dense than water). Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.
Color/Form Colorless liquid
Odor Distinct strong cyanide odor
Boiling Point 180 °F at 23 mmHg (EPA, 1998)
Melting Point -2.2 °F (EPA, 1998)
Flash Point 165 °F (EPA, 1998)
Solubility greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
Density 0.9267 at 77 °F (EPA, 1998) - Less dense than water; will float
Vapor Density 2.93 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.8 mmHg at 68 °F (EPA, 1998)
Autoignition Temperature 1270 °F (USCG, 1999)
Decomposition When heated to decomposition it emits toxic fumes of /hydrogen cyanide/.
Heat of Combustion -2.2391X10+9 J/kmol /Estimated, Std Net Heat of Comb/
Odor Threshold Odor Threshold Low: 3.0 [mmHg] Odor threshold (recognition)
Refractive Index Index of refraction: 1.3992 at 20 °C/D
Relative Evaporation Rate < 1 (water = 1.0)
Chemical Classes Nitrogen Compounds -> Nitriles

COMPUTED DESCRIPTORS

Molecular Weight 85.10 g/mol
XLogP3 -0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 85.052763847 g/mol
Monoisotopic Mass 85.052763847 g/mol
Topological Polar Surface Area 44 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 87
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Acetone cyanohydrin, stabilized appears as a colorless liquid. Flash point 165 °F. Lethal by inhalation and highly toxic or lethal by skin absorption. Density 7.8 lb / gal (less dense than water). Vapors heavier than air. Produces toxic oxides of nitrogen during combustion.