5-methylhexan-2-one
5-Methyl-2-hexanone
CAS: 110-12-3
Molecular Formula: C7H14O
5-methylhexan-2-one - Names and Identifiers
| Name | 5-Methyl-2-hexanone |
| Synonyms | MIAK Isobutylaceton methyl-2-hexanone 5-Methyl-2-hexanone 5-methylhexan-2-one Isoamylmethylketone ketone,methylisoamyl Methyl isoamyl ketone Isopentyl-methylketon methylisopentylketone Isoamyl methyl ketone Ketone, methyl isoamyl Methyl isopentyl ketone (1R)-2-bromo-1-phenylethanol Isopentyl methyl ketone~Methyl isoamyl ketone~MIAK |
| CAS | 110-12-3 |
| EINECS | 203-737-8 |
| InChI | InChI=1/C8H9BrO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6H2/t8-/m0/s1 |
5-methylhexan-2-one - Physico-chemical Properties
| Molecular Formula | C7H14O |
| Molar Mass | 114.19 |
| Density | 0.814 g/mL at 25 °C (lit.) |
| Melting Point | -74 °C |
| Boling Point | 145 °C (lit.) |
| Flash Point | 106°F |
| Water Solubility | 5.4 g/L (20 ºC) |
| Solubility | water: soluble5.4g/L at 25°C |
| Vapor Presure | 4.5 mm Hg ( 20 °C) |
| Vapor Density | 3.94 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| Exposure Limit | TLV-TWA 240 mg/m3 (50 ppm) (ACGIH). |
| BRN | 506163 |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1.35-8.2%, 93°F |
| Refractive Index | n20/D 1.406(lit.) |
5-methylhexan-2-one - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R10 - Flammable R20 - Harmful by inhalation |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| UN IDs | UN 2302 3/PG 3 |
| WGK Germany | 1 |
| RTECS | MP3850000 |
| TSCA | Yes |
| HS Code | 29141910 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 3200 mg/kg LD50 dermal Rabbit 8100 mg/kg |
5-methylhexan-2-one - Reference Information
| olfactory Threshold | 0.0021ppm |
| LogP | 1.88 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | for organic synthesis. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 3200 mg/kg; Oral-mouse LD50: 2542 mg/kg |
| stimulation data | eyes-rabbits 81 mg/24 h mild |
| explosive hazard characteristics | mixture of vapor and air can be exploded |
| flammability hazard characteristics | flammable; Spicy and irritating smoke released from fire scene |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Storage and transportation is separated from oxidant |
| extinguishing agent | dry powder, carbon dioxide, sand, foam |
| Occupational Standard | TLV-TWA 240 mg/m3; Tel 479 mg/m3 |
| spontaneous combustion temperature | 797 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:04
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