2,6-Dimethyl-2,5-heptadien-4-one , 98% , 504-20-1

CAS NO.：504-20-1

Empirical Formula: C9H14O

Molecular Weight: 138.21

MDL number: MFCD00008901

EINECS: 207-986-3

PRODUCT Properties

• 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.)
• 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)

Description and Uses

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.

Diisopropylidene Acetone is a reagent used in the preparation of biaryls by Suzuki-Miyaura cross coupling reaction.

Safety

• 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