2,6-Dimethyl-4-heptanone
2,6-Dimethyl-4-heptanone
CAS: 108-83-8
Molecular Formula: C9H18O
2,6-Dimethyl-4-heptanone - Names and Identifiers
| Name | 2,6-Dimethyl-4-heptanone |
| Synonyms | DIBK Isovalerone isobutyl ketone DiisobutylKetone Diisobutyl ketone Dimethylheptanone diisopropylacetone s-diisopropylacetone sym-diisopropyl acetone 2,6-dimethylheptan-4-one 2,6-Dimethyl-4-heptanone 2,6-DIMETHYL-4-HEPTANONE Diisobutyl ketone~Isovalerone 2,6-Dimethyl-4-Heptanone,Purified 4-methyl-3-(propan-2-yl)pentan-2-one 2,6-Dimethyl-4-heptanone, remainder mainly 4,6-dimethyl-2-heptanone |
| CAS | 108-83-8 |
| EINECS | 203-620-1 |
| InChI | InChI=1/C9H18O/c1-6(2)9(7(3)4)8(5)10/h6-7,9H,1-5H3 |
2,6-Dimethyl-4-heptanone - Physico-chemical Properties
| Molecular Formula | C9H18O |
| Molar Mass | 142.24 |
| Density | 0.808g/mLat 25°C(lit.) |
| Melting Point | -46 °C |
| Boling Point | 165-170°C(lit.) |
| Flash Point | 120°F |
| JECFA Number | 302 |
| Water Solubility | 0.05 g/100 mL |
| Solubility | Miscible with ethanol, ether, carbon tetrachloride, chloroform, benzene and most organic liquids. |
| Vapor Presure | 1.7 mm Hg ( 20 °C) |
| Vapor Density | 4.9 (vs air) |
| Appearance | Liquid |
| Specific Gravity | 0.810 (20/4℃) |
| Color | Clear colorless to slightly yellow |
| Odor | Mild; characteristic ketonic. |
| Exposure Limit | TLV-TWA 150 mg/m3 (25 ppm); IDLH1000 ppm. |
| BRN | 1743163 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents. |
| Explosive Limit | 0.8-6.2%, 100°F |
| Refractive Index | n20/D 1.412(lit.) |
| Physical and Chemical Properties | Appearance: colorless transparent oily liquid |
| Use | Used as an intermediate in organic synthesis |
2,6-Dimethyl-4-heptanone - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R10 - Flammable R37 - Irritating to the respiratory system |
| Safety Description | 24 - Avoid contact with skin. |
| UN IDs | UN 1157 3/PG 3 |
| WGK Germany | 1 |
| RTECS | MJ5775000 |
| TSCA | Yes |
| HS Code | 29141990 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: 5750 mg/kg LD50 dermal Rabbit 16000 mg/kg |
2,6-Dimethyl-4-heptanone - Reference Information
| FEMA | 3537 | 2,6-DIMETHYL-4-HEPTANONE |
| Henry's Law Constant | 6.36(x 10-4 atm?m3/mol) at 20 °C (approximate - calculated from water solubility and vapor pressure) |
| LogP | 3.71 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): baked product 5.0; Cold drink 2.0; Gummy 5.0; Pudding 1.1; 0.8 of non-alcoholic beverages; 1.1 of alcoholic beverages. |
| Use | food flavor. Mainly used for the preparation of jackfruit, banana, orange juice, egg, tropical fruit, rum and wine flavor. This product is mainly used as an organic solvent and can also be used in organic synthesis. Can dissolve cellulose acetate, nitrocellulose, polystyrene, ethylene resin, wax, varnish, natural resin and raw gum. Due to its high boiling point and slow evaporation rate, it can be used as a solvent for Nitro paint, vinyl resin paint and other synthetic resin paint. It is also an intermediate of some drugs and pesticides. used as intermediate in organic synthesis |
| production method | formone is produced by acid-catalyzed condensation of acetone, followed by hydrogenation and reduction to diisobutyl ketone. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 5750 mg/kg; Oral-mouse LD50: 1416 mg/kg |
| stimulation data | Skin-rabbits 10 mg/24 h mild; eye-rabbit 500 mg mild |
| explosive hazard characteristics | mixture of vapor and air can be exploded |
| flammability hazard characteristics | flammability |
| 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 150 mg/m3; Tel 225 mg/m3 |
| spontaneous combustion temperature | 745 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentration | 500 ppm |
Last Update：2024-04-10 22:29:15
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View History
2,6-Dimethyl-4-heptanone
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