Grundinformationen
- Standard-SMILES
CC(C)(O)C#N- InChIKey
MWFMGBPGAXYFAR-UHFFFAOYSA-N- Summenformel
- C4H7NO
- Durchschnittliche Molmasse
- 85,1 g/mol
- Monoisotopische Masse
- 85,05276385
Namen und Bezeichner
- Bevorzugter Name
- Acetone Cyanohydrin
- IUPAC
- 2-hydroxy-2-methylpropanenitrile
- Lokaler Name
- 2-Cyanopropan-2-ol
- Englischer Name
- Acetone cyanohydrin
- Summenformel
- C4H7NO
- Molmasse
- 85.1
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
75-86-5- PubChem CID
- 6406
- DTXSID
DTXSID7025427- ChEMBL
CHEMBL1231861- ChEBI
CHEBI:15348- UNII
- CO1YOV1KFI
- EC Number
- 200-909-4
- Nikkaji
- J1.468K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 44 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 87
Physikochemische Eigenschaften
- Schmelzpunkt
- -19 °C · -19 °C (lit.)
- Siedepunkt
- 82 °C/23 · 82 °C/23 mmHg (lit.)
- Dichte
- 0.932 g/mL · 0.932 g/mL at 25 °C (lit.)
- Dampfdruck
- 0.3 psi · 0.3 psi ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.399(lit.)
- Flammpunkt
- 147 °F · 147 °F
- storage temp.
- Refrigerator
- Löslichkeit
- very soluble in water, alcohol, and ether; slightly soluble in petroleum ether
- pka
- 11.45 · 11.45±0.29(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to yellow
- Explosionsgrenze
- 11 % · 11%
- Wasserlöslichkeit
- miscible
- Merck
- 13 · 13,68
- Henry's Law Constant
- 8 · 8.0×101 mol/(m3Pa) at 25℃, HSDB (2015)
- InChI
- 1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
- InChIKey
- MWFMGBPGAXYFAR-UHFFFAOYSA-N
- SMILES
- CC(C)(O)C#N
- CAS Datenbank
- 75 · 75-86-5(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Propanenitrile, 2-hydroxy-2-methyl-(75-86-5)
- EPA chemische Informationen
- Acetone cyanohydrin (75-86-5)
- ECETOC JACC REPORT
- Acetone cyanohydrin (75-86-5)
Sicherheit und Regulatorisches
Sicherheitsdaten
- OEL
- Ceiling: 1 ppm (4 mg/m3) [15-minute]
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1541
- hs_code
- 29269095
- RTECS-Nr.
- OD9275000
- risk_code
- 26/27/28-50-50/53
- Toxizität
- LD50 orally in rats: 0.17 g/kg (Smyth)
- hazard_code
- T+,N
- safety_code
- 27-45-60-61-7/9
- hazard_class
- 6.1
- packing_group
- I
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Giftige Stoffe Daten
- 75-86-5(Hazardous Substances Data)
- Hazard Classifications
- Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1
Chemie und Industrie
Anwendungen
BeschreibungAcetone cyanohydrin is an organic compound used in the production of methyl methacrylate, the monomer of the transparent plastic polymethyl methacrylate (PMMA), also known as acrylic. Acetone cyanohydrin is a flammable colourless liquid with a faint odour of bitter almond. It is incompatible with sulphuric acid. Acetone cyanohydrin readily undergoes decomposition by water to form hydrogen cyanide and acetone. Cassava tubers contain linamarin, a glucoside of acetohydrin, and the enzyme linamarinase for hydrolysing the glucoside. Crushing the tubers releases these compounds and produces acetone cyanohydrin, which is potentially lethally toxic. Acetone cyanohydrin is classified as an extremely hazardous substance in the U.S. Emergency Planning and Community Right-to- Know Act. The principal hazards of acetone cyanohydrin arise from its ready decomposition on contact with water, which releases highly toxic hydrogen cyanide.
VerwendenAcetone cyanohydrin is used to make methyl methacrylate; in the production of pharmaceuticals, foaming agents, and insecticides; and to produce polymerization initiators.
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