| Identification | More | [Name]
2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE | [CAS]
504-20-1 | [Synonyms]
2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE
2,6-DIMETHYL-2,5-HEPTADIENE-4-ONE
DIISOPROPYLIDENEACETONE
PHORONE
SYM-DIISOPROPYLIDENEACETONE
2,5-Heptadien-4-one,2,6-dimethyl-
2,6-dimethyl-5-heptadien-4-one
2,6-dimethyl-hepta-2,5-dien-4-one
5-Heptadien-4-one,2,6-dimethyl-2
Diisobutenyl ketone
diisobutenylketone
diisopropylidineacetone
Foron
Phoron
s-Diisopropylidene acetone
Diisopropyllideneacetone
Phorone,98+%
diiosopropylideneacetone
2,5-HEPTADIEN-4-ONE,2,6-DIMET
3,6-dimethyl-2,5-hexadien-4-one | [EINECS(EC#)]
207-986-3 | [Molecular Formula]
C9H14O | [MDL Number]
MFCD00008901 | [Molecular Weight]
138.21 | [MOL File]
504-20-1.mol |
| Chemical Properties | Back Directory | [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 ]
n20/D 1.497(lit.)
| [Fp ]
175 °F
| [storage temp. ]
Sealed in dry,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 Data | Back Directory | [WGK Germany ]
3
| [RTECS ]
MI5500000
| [HS Code ]
2914199090 | [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 |
| Hazard Information | Back Directory | [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. | [Reactivity Profile]
Ketones, such as PHORONE(504-20-1), 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. | [Air & Water Reactions]
Slightly soluble in water. | [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. | [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. | [Definition]
ChEBI: Phorone is a dialkenyl ketone. | [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. |
|
|