2-Propanone, cyanohydrin
Acetone cyanohydrin
CAS: 75-86-5;59182-86-4
Molecular Formula: C4H7NO
2-Propanone, cyanohydrin - Names and Identifiers
2-Propanone, cyanohydrin - Physico-chemical Properties
| Molecular Formula | C4H7NO |
| Molar Mass | 85.1 |
| Density | 0.932 g/mL at 25 °C (lit.) |
| Melting Point | -19 °C (lit.) |
| Boling Point | 82 °C/23 mmHg (lit.) |
| Flash Point | 147°F |
| Water Solubility | miscible |
| Solubility | very soluble in water, alcohol, and ether; slightly soluble in petroleumether |
| Vapor Presure | 0.3 psi ( 20 °C) |
| Appearance | Liquid |
| Color | Clear colorless to yellow |
| Exposure Limit | Ceiling 4 mg (1.2 ppm)/m3/15 min (NIOSH). Zholdakova et al. (1995) have recommended a maximum permissible concentration of 0.035 mg/L in water as cyanide for acetone cyanohydrin or in combination with |
| Merck | 13,68 |
| pKa | 11.45±0.29(Predicted) |
| Storage Condition | Refrigerator |
| Refractive Index | n20/D 1.399(lit.) |
| Physical and Chemical Properties | Colorless to light yellow liquid. Soluble in water and commonly used organic solvents, but insoluble in petroleum ether and carbon disulfide. |
2-Propanone, cyanohydrin - Risk and Safety
| Risk Codes | R26/27/28 - Very toxic by inhalation, in contact with skin and if swallowed. R50 - Very Toxic to aquatic organisms R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. |
| Safety Description | S27 - Take off immediately all contaminated clothing. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S7/9 - |
| UN IDs | UN 1541 6.1/PG 1 |
| WGK Germany | 3 |
| RTECS | OD9275000 |
| HS Code | 29269095 |
| Hazard Class | 6.1(a) |
| Packing Group | I |
| Toxicity | LD50 orally in rats: 0.17 g/kg (Smyth) |
2-Propanone, cyanohydrin - Nature
Open Data Verified Data
colorless to light yellow liquid. Melting Point -19 °c. Boiling point 95. Relative density (d20) 0.932. Refractive index 3996. Flash Point 63. Soluble in water and commonly used organic solvents, but insoluble in petroleum ether and carbon disulfide.
Last Update：2024-01-02 23:10:35
2-Propanone, cyanohydrin - Preparation Method
Open Data Verified Data
It is prepared by the addition reaction of acetone and hydrocyanic acid under alkaline conditions.
Last Update：2022-01-01 10:17:19
2-Propanone, cyanohydrin - Use
Open Data Verified Data
important organic synthesis intermediates for the synthesis of methyl methacrylate, 2 methyl isobutyrate, azobisisobutyronitrile, pesticides and metal separation refining agent.
Last Update：2022-01-01 10:17:19
2-Propanone, cyanohydrin - Safety
Open Data Verified Data
on the respiratory, digestive system are very toxic, skin absorption will also produce moderate toxicity. Mice die within 90s of being in vapor. The production workshop should be well ventilated, the operator should wear special protective clothing, and any part of the body should not be exposed. The victim should be treated immediately. Rat oral LD50 170mg/kg.
The production and use of this product often in the same place, without transport. According to the provisions of the storage and transportation of toxic chemicals.
Last Update：2022-01-01 10:17:19
2-Propanone, cyanohydrin - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | used in the preparation of methyl methacrylate, azobisisobutyronitrile, etc., also used in the preparation of pesticides important organic synthesis intermediates, for the synthesis of methyl methacrylate, 2-methylisobutyrate, azobisisobutyronitrile, pesticides and metal separation refining agent. used in organic synthesis and pesticide preparation |
| production method | the role of sodium cyanide and concentrated sulfuric acid to hydrocyanic acid, hydrocyanic acid after distillation and purification reaction with acetone to produce acetone cyanohydrin: the raw material, hydrocyanic acid, may also utilize a by-product of acrylonitrile. The laboratory synthesis or reagent production is the same as the above process, and the operation method is as follows: In a 5L three-necked flask, add 500g(9.7mol) A solution of powdered sodium cyanide in 1.2L of water and 12.3 ML (G, mol) of acetone. The flask was placed in an ice bath with vigorous stirring. 2.1L(8.5mol) of 40% sulfuric acid was added slowly when the temperature dropped to 15 °c, and the addition was completed in 3H and maintained at 10-20 °c. After addition of the acid, stirring was continued for 15min. Allow the salt to settle. The resulting acetone cyanohydrin was decanted and separated from the aqueous layer. The aqueous layer was filtered off with sodium cyanide sulfate and washed with acetone. The filtrate and washings were combined and extracted with ether. The extracts were combined with acetone cyanohydrin, which was originally separated. Dry with anhydrous sodium sulfate. Ether and acetone were distilled off on a water bath. The residue was distilled under reduced pressure and a 78-82 °c fraction was collected at 2.0-2.67kPa. The product was produced in the amount of 640-650g and the yield was 77-78%. Product specifications: as an intermediate in the production of organic glass, it is a brown liquid with a content of more than 93%. Raw material consumption quota: sodium cyanide (> 93%)557kg/t, acetone (98%)650kg/t, sulfuric acid (93%)704kg/t. |
| category | toxic substances |
| toxicity grade | highly toxic |
| Acute toxicity | oral-rat LD50: 19.3 mg/kg; Intraperitoneal-mouse LD50: 1 mg/kg |
| flammability hazard characteristics | open flame flammability; Thermal decomposition; Combustion emission of toxic nitrogen oxide smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature, separate storage of food additives |
| extinguishing agent | dry powder, foam, carbon dioxide, sand. The acid-base extinguishing agent is not allowed. |
| Occupational Standard | SEL 0.9 mg/m3 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:05:15
