Acetone cyanohydrin

C₄H₇NOCAS 75-86-585.11 g/mol

Open in Covalent MOL file

Alcohol Nitrile

Properties

Molecular formula: C₄H₇NO
Molar mass: 85.11 g/mol
Exact mass: 85.0528 Da
Density: 0.9267 g/mL (at 25 °C)
Melting point: −19 °C
Boiling point: 95 °C
Flash point: 73.9 °C (closed cup)
Water solubility: miscible
logP: 0.28Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowedAcute toxicity, oral
H310 Fatal in contact with skinAcute toxicity, dermal
H330 Fatal if inhaledAcute toxicity, inhalation
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

75-86-5

SMILES

CC(C)(O)C#N

InChIKey

MWFMGBPGAXYFAR-UHFFFAOYSA-N

InChI

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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

17 names · show all

Propanenitrile, 2-hydroxy-2-methyl-
Lactonitrile, 2-methyl-
2-Hydroxy-2-methylpropanenitrile
α-Hydroxyisobutyronitrile
2-Methyllactonitrile
2-Hydroxyisobutyronitrile
2-Hydroxy-2-methylpropionitrile
2-Cyano-2-propanol
2-Cyano-2-hydroxypropane
2-Hydroxy-2-cyanopropane
2-Methyl-2-hydroxypropionitrile
2-Propanone, cyanohydrin
Dimethyl ketone cyanohydrin
NSC 131093
NSC 7080
NSC 977
2-Methyl-2-hydroxypropanenitrile

Reactions

ACETONE CYANOHYDRIN (Isobutyronitrile, α-hydroxy-)product

Work with Acetone cyanohydrin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethyl-3-hexyne-2,5-diol142-30-350 % similar 2,7-Dimethylocta-3,5-diyne-2,7-diol5929-72-645 % similar 2-Methylbut-3-yn-2-ol115-19-543 % similar Pivalonitrile630-18-242 % similar 3,3,3-Trifluoro-2-hydroxy-2-methylpropanenitrile335-08-040 % similar 2-Amino-2-methylpropanenitrile19355-69-236 % similar Azobisisobutyronitrile78-67-136 % similar 2,3-Dimethyl-2-(1-methylethyl)butanenitrile55897-64-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methoxypropionitrile110-67-8 Propyl isocyanate110-78-1 2-Methyl-2-oxazoline1120-64-5 Isopropyl isocyanate1795-48-8 2-Pyrrolidone616-45-5 Cyclopropanecarboxamide6228-73-5 Cyclopropanecarboxamide6628-73-5 Methacrylamide79-39-0

Elsewhere

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