2,6-Dimethyl-2,5-heptadien-4-one
- CAS No.
- 504-20-1
- Chemical Name:
- 2,6-Dimethyl-2,5-heptadien-4-one
- Synonyms
- PHORONE;Foron;5-Heptadien-4-one;s-Diisopropylidene acetone;Phoron;SYM-DIISOP;Phorone,98+%;diisobutenylketone;Diisobutenyl ketone;diisopropylidineacetone
- CBNumber:
- CB9351608
- Molecular Formula:
- C9H14O
- Molecular Weight:
- 138.21
- MOL File:
- 504-20-1.mol
- MSDS File:
- SDS
- Modify Date:
- 2023/11/27 13:13:26
| Melting point | 23-26 °C(lit.) |
|---|---|
| Boiling point | 198-199 °C(lit.) |
| Density | 0.885 g/mL at 25 °C(lit.) |
| vapor density | 4.8 (vs air) |
| vapor pressure | 0.38 mm Hg ( 20 °C) |
| refractive index |
n |
| Flash point | 175 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| color | Light Yellow to Yellow |
| Merck | 7333 |
| InChI | InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3 |
| InChIKey | MTZWHHIREPJPTG-UHFFFAOYSA-N |
| SMILES | C/C(/C)=C\C(=O)/C=C(\C)/C |
| CAS DataBase Reference | 504-20-1(CAS DataBase Reference) |
| EPA Substance Registry System | Phorone (504-20-1) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | MI5500000 | |||||||||
| HS Code | 2914199090 | |||||||||
| NFPA 704 |
|
2,6-Dimethyl-2,5-heptadien-4-one Chemical Properties,Uses,Production
Description
2,6-Dimethyl-2,5-heptadien-4-one (DMHD4O) is an industrially important diene molecule chemically known as phorone or diisopropylidene acetone, available in the form of yellow to green liquid and yellowish green prisms. It is a self-condensation product of acetone and can also be obtained from camphor. In particular, it is used as a solvent for nitrocellulose, synthetic resins, fibers, coating compositions, stains, lubricant additives, odor-resistant agent production, and intermediate for organic and pharmaceutical synthesis[1]. This compound possesses the property of increasing the reactivity of enzymes involved in glutathione metabolism.
Chemical Properties
Yellow liquid or yellow green prismatic crystal
Uses
Diisopropylidene Acetone is a reagent used in the preparation of biaryls by Suzuki-Miyaura cross coupling reaction.
General Description
A yellowish liquid with a solvent-like odor. Density 7.3 lb / gal. Very low vapor pressure (0.38 mm Hg at 68°F). Flash point 185°F. Combustible but difficult to ignite. Used as a solvent for lacquers and coatings.
Air & Water Reactions
Slightly soluble in water.
Reactivity Profile
Ketones, such as 2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.
Health Hazard
Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
Safety Profile
Moderately toxic by subcutaneous route. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ISOPHORON
Purification Methods
Crystallise phorone repeatedly from EtOH. [Beilstein 1 IV 3564.]
References
[1] V. Arjunan. “Electronic structure simulations of 2,6-dimethyl-2,5-heptadien-4-one by FTIR, FT-Raman, NMR, UV–vis, NBO and density functional theory.” Molecular Simulation 39 1 (2013): 185–198.
2,6-Dimethyl-2,5-heptadien-4-one Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
| SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD | +86-17691239725 +86-15529797525 | China | 187 | 58 | Inquiry |
| Capot Chemical Co.,Ltd. | 571-85586718 +8613336195806 | China | 29798 | 60 | Inquiry |
| career henan chemical co | +86-0371-86658258 +8613203830695 | China | 29899 | 58 | Inquiry |
| Zhejiang ZETian Fine Chemicals Co. LTD | +8618957127338 | China | 2136 | 58 | Inquiry |
| Chongqing Chemdad Co., Ltd | +86-023-6139-8061 +86-86-13650506873 | China | 39916 | 58 | Inquiry |
| Guangzhou Yuheng Pharmaceutical Technology Co., Ltd | +8613580539051 | CHINA | 21149 | 58 | Inquiry |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418671 +8618949823763 | China | 34571 | 58 | Inquiry |
| Shanghai UCHEM Inc. | +862156762820 +86-13564624040 | China | 7181 | 58 | Inquiry |
| AFINE CHEMICALS LIMITED | +86-0571-85134551 | China | 15373 | 58 | Inquiry |
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