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3-Acetyl-6-Methyl-2H-Pyran-2,4(3H)-Dione
[CAS 16807-48-0]

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Identification
Name 3-Acetyl-6-Methyl-2H-Pyran-2,4(3H)-Dione
Synonyms 2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid δ-lactone; 2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, δ-lactone; 2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid, δ-lactone
Molecular Formula C8H8O4
Molecular Weight 168.15
CAS Registry Number 16807-48-0
SMILES CC1=CC(=O)C(C(=O)O1)C(=O)C
InChI 1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3
InChIKey PGRHXDWITVMQBC-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Melting point 111°C (Expl.)
Boiling point 332.6±42.0°C at 760 mmHg (Cal.)
Flash point 150.5±27.9°C (Cal.)
Refractive index 1.49 (Cal.)
Safety Data
Safety Description IRRITANT
References
(1) Martin Kello, Jaromír Mikeš, Rastislav Jendželovský, Ján Kovaľ and Peter Fedoročko. PUFAs enhance oxidative stress and apoptosis in tumour cells exposed to hypericin-mediated PDT, Photochem. Photobiol. Sci., 2010, 9, 1244.
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