Hexan-3-one
3-Hexanone
CAS: 589-38-8
Molecular Formula: C6H12O
Hexan-3-one - Names and Identifiers
| Name | 3-Hexanone |
| Synonyms | 3-Hexanone 3-oxohexane Hexan-3-one hexan-3-one n-C3H7COC2H5 Hexanone-(3) Aethylpropylketon hexanone,3-hexanone Ethyl n-propyl ketone METHYLPROPYLKETONE(SG) |
| CAS | 589-38-8 |
| EINECS | 209-645-4 |
| InChI | InChI=1/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3 |
Hexan-3-one - Physico-chemical Properties
| Molecular Formula | C6H12O |
| Molar Mass | 100.16 |
| Density | 0.815 g/mL at 25 °C (lit.) |
| Melting Point | -55°C |
| Boling Point | 123 °C (lit.) |
| Flash Point | 95°F |
| JECFA Number | 281 |
| Water Solubility | Soluble in water. (14 g/L) |
| Solubility | 14.7g/l |
| Vapor Presure | 12.1mmHg at 25°C |
| Appearance | Liquid |
| Color | Clear colorless to slightly yellow |
| BRN | 1738025 |
| Storage Condition | Flammables area |
| Stability | Stable, but may form peroxides on prolonged storage. Flammable. Incompatible with oxidizing agents, reducing agents, strong bases. |
| Explosive Limit | 1-8%(V) |
| Refractive Index | n20/D 1.400(lit.) |
| Physical and Chemical Properties | Slightly soluble in water, soluble in acetone, miscible in alcohol and ether. Boiling point 118-123 °c, flash point 35 °c. It has Ether aroma, grape and wine aroma. Natural products are found in cold-pressed lemon peel oil, black fruits, peach, pineapple, cream, bread, dairy, cooked beef, cocoa, coffee, etc. |
Hexan-3-one - Risk and Safety
| Risk Codes | R11 - Highly Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. R10 - Flammable |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S16 - Keep away from sources of ignition. S9 - Keep container in a well-ventilated place. S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 1224 3/PG 3 |
| WGK Germany | 3 |
| RTECS | MP1575000 |
| TSCA | Yes |
| HS Code | 29141900 |
| Hazard Class | 3 |
| Packing Group | III |
Hexan-3-one - Reference Information
| FEMA | 3290 | 3-HEXANONE |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| use limit | FEMA: soft drinks, candy, baking. Kaipudding, meat and meat products, soup, dairy products, cereal products, all 20.0 mg/kg. |
| use | food spices. Mainly used to prepare wine and other fruit wine flavors and meat flavors. |
| Production method | Dehydrogenation of 3-hexanol in the presence of oxidative phosphorylation Ni-Zn catalyst. It can also be obtained by hydrogenation of 2-ethylfuran. Or from β-furyl propionic acid at 250-300 ℃ by 5% Pt-C catalysis. |
| category | more flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 3360 mg/kg |
| stimulation data | skin-rabbit 500 mg/24 hours mild; Eyes-rabbit 500 mg/24 hours mild |
| flammability hazard characteristics | it is more flammable 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, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
Last Update：2024-04-09 15:16:46
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CAS: 589-38-8
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