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504-31-4

504-31-4 Structure

504-31-4 Structure
IdentificationBack Directory
[Name]

ALPHA-PYRONE
[CAS]

504-31-4
[Synonyms]

α-Pyron
cumalin
2-Pyrone
Coumalin
α-pyrone
2-Pyranone
pyran-2-one
ALPHA-PYRONE
Pyrone,alpha-
2H-PYRAN-2-ONE
2H-Pyran, 2-oxo-
chloro-4’phenyl-
2H-PYRAN-2-ONE 99%
2H-Pyran-2-one,97%
2H-Pyran-2-one,99%
2H-Pyran-2-one, 97% 5GR
2,4-Pentadienoic acid, 5-hydroxy-, delta-lactone
chloro-4’phenyl-4methyl-6phenyl-3tetrahdyro-3,4,5,6pyrone-6(3r*,4s*,6r*
4-beta,6-alpha)-tetrahydro-4-(4-chlorophenyl)-6-methyl-3-phenyl-2h-(3-alph
2h-pyran-2-one,tetrahydro-4-(4-chlorophenyl)-6-methyl-3-phenyl-,(3-alpha,4-be
tetrahydro-4-(4-chlorophenyl)-6-methyl-3-phenyl-,(3-alpha,4-beta,6-alpha)-2h-pyran-2-on
[EINECS(EC#)]

207-990-5
[Molecular Formula]

C5H4O2
[MDL Number]

MFCD00006639
[MOL File]

504-31-4.mol
[Molecular Weight]

96.08
Chemical PropertiesBack Directory
[Appearance]

clear yellow to brown liquid
[Melting point ]

8-9 °C
[Boiling point ]

102-103 °C20 mm Hg(lit.)
[density ]

1.197 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.53(lit.)
[Fp ]

94 °C
[storage temp. ]

Refrigerator (+4°C)
[form ]

Liquid
[color ]

Clear yellow to brown
[Odor]

Pleasant hay-like, herbaceous-warm odor
[BRN ]

1511
[InChI]

InChI=1S/C5H4O2/c6-5-3-1-2-4-7-5/h1-4H
[InChIKey]

ZPSJGADGUYYRKE-UHFFFAOYSA-N
[SMILES]

C1(=O)OC=CC=C1
[LogP]

-0.645 (est)
Hazard InformationBack Directory
[Chemical Properties]

clear yellow to brown liquid
[Uses]

2H-Pyran-2-one (a-Pyrone) is a heterocyclic building block. Photochemistry of 2H-pyran-2-one has been investigated by laser flash photolysis with infrared detection. Ketene and a bicyclic lactone were obtained as major photoproducts.
[Definition]

ChEBI: 2H-pyran-2-one is the simplest member of the class of 2-pyranones that is 2H-pyran with an oxo substituent at position 2.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 90, p. 2318, 1968 DOI: 10.1021/ja01011a020
Organic Syntheses, Coll. Vol. 6, p. 462, 1988
[General Description]

2H-Pyran-2-one (a-Pyrone) is a heterocyclic building block. Photochemistry of 2H-pyran-2-one has been investigated by laser flash photolysis with infrared detection. Ketene and a bicyclic lactone were obtained as major photoproducts.
[Purification Methods]

Dissolve -pyrone in Et2O, wash it with brine, dry (Na2SO4), f
Safety DataBack Directory
[Safety Statements ]

23-24/25
[WGK Germany ]

3
[F ]

8-9-23
[HS Code ]

29322090
[Storage Class]

10 - Combustible liquids
Spectrum DetailBack Directory
[Spectrum Detail]

ALPHA-PYRONE(504-31-4)1HNMR
ALPHA-PYRONE(504-31-4)Raman
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