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504-20-1

Name 2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE
CAS 504-20-1
EINECS(EC#) 207-986-3
Molecular Formula C9H14O
MDL Number MFCD00008901
Molecular Weight 138.21
MOL File 504-20-1.mol

Chemical 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.)
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

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

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