METHYL BUTYL KETONE
2-Hexanone
CAS: 591-78-6
Molecular Formula: C6H12O
METHYL BUTYL KETONE - Names and Identifiers
| Name | 2-Hexanone |
| Synonyms | MBK MNBK 2-Hexanone 2-HEXANONE METHYL BUTYL KETONE Methyl butyl ketone BUTYL METHYL KETONE Butyl methyl ketone Methyl buthyl ketone METHYL N-BUTYL KETONE Methyl n-butyl ketone n-Butyl methyl ketone N-BUTYL METHYL KETONE |
| CAS | 591-78-6 |
| EINECS | 209-731-1 |
| InChI | InChI=1/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3 |
| InChIKey | QQZOPKMRPOGIEB-UHFFFAOYSA-N |
METHYL BUTYL KETONE - Physico-chemical Properties
| Molecular Formula | C6H12O |
| Molar Mass | 100.16 |
| Density | 0.812g/mLat 25°C(lit.) |
| Melting Point | -57 °C |
| Boling Point | 127°C(lit.) |
| Flash Point | 95°F |
| Water Solubility | 2 g/100 mL (20 ºC) |
| Solubility | Soluble in acetone, ethanol, and ether (Weast, 1986) |
| Vapor Presure | 10 mm Hg ( 39 °C) |
| Appearance | Liquid |
| Color | Clear colorless to light yellow |
| Exposure Limit | NIOSH REL: TWA 1 ppm (4 mg/m3), IDLH 1,600 ppm; OSHA PEL: TWA100 ppm (410 mg/m3); ACGIH TLV: TWA 5 ppm, STEL 10 ppm (adopted). |
| Merck | 14,6033 |
| BRN | 1737676 |
| pKa | -8.30 (quoted, Riddick et al., 1986) |
| Storage Condition | 2-8°C |
| Stability | Stable. Flammable. Incompatible with oxidizing agents, strong bases, reducing agents. |
| Refractive Index | n20/D 1.401(lit.) |
| Physical and Chemical Properties | Density 0.81 melting point -57°C boiling point 127°C refractive index 1.3995-1.4015 flash point 23°C water-soluble 2g/100 mL (20°C) |
METHYL BUTYL KETONE - Risk and Safety
| Risk Codes | R10 - Flammable R48/23 - R62 - Possible risk of impaired fertility R67 - Vapors may cause drowsiness and dizziness R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. |
| UN IDs | UN 1224 3/PG 3 |
| WGK Germany | 1 |
| RTECS | MP1400000 |
| TSCA | Yes |
| HS Code | 29141900 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 2.59 g/kg (Smyth) |
METHYL BUTYL KETONE - Reference Information
| olfactory threshold (Odor Threshold) | 0.024ppm |
| Henry's Law Constant | 24.4 at 37 °C (static headspace-GC, Bylaite et al., 2004) |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | used as solvent and organic synthesis intermediate. The product is flammable and can form an explosive mixture with air. Solvent. Ferric chloride was extracted from hydrochloric acid solution. Organic synthesis. |
| Production method | It is prepared by co-heating ethyl n-propyl acetoacetate and sodium hydroxide solution. Ethyl n-propylacetoacetate is mixed with 15% sodium hydroxide solution, heated and refluxed for 6 hours, cooled, saturated with salt, and extracted with ether. The ether extract is washed with salt water, dried with anhydrous calcium chloride, and the ether is recovered. After the residue is distilled, the fraction at 127-130 ℃ is collected, which is 2-hexanone. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 2590 mg/kg; Oral-mouse LD50: 710 mg/kg |
| stimulation data | skin-rabbit 500 mg/24 hours mild; Eye-rabbit 500 mg/24 hours mild |
| explosive hazard characteristics | blastable when mixed with air |
| flammability hazard characteristics | flammability in case of open flame, high temperature and oxidant; Combustion produces stimulating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from oxidant |
| fire extinguishing agent | dry powder, carbon dioxide, foam, 1211 fire extinguishing agent |
| occupational standard | TLV-TWA 5 PPM (20 mg/m3); STEL 8 PPM (35 mg/m3) |
| spontaneous combustion temperature | 530°C |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-threatening and health concentration | 1,600 ppm |
Last Update：2024-04-09 02:00:05
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