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1004-36-0

1004-36-0 Structure

1004-36-0 Structure
IdentificationMore
[Name]

2,6-Dimethyl-4H-pyran-4-one
[CAS]

1004-36-0
[Synonyms]

2,6-DIMETHYL-4H-PYRAN-4-ONE
2,6-DIMETHYL-4-PYRONE
2,6-DIMETHYL-GAMMA-PYRONE
2,6-DIMETHYL-G-PYRONE
AURORA KA-6632
2,6-dimethyl-4h-pyran-4-on
2,6-Dimethyl-4-pyranone
2,6-Dimethyl-pyran-4-one
gamma-2,6-Dimethylpyrone
2,6-Dimethyl-4H-pyran-4-one~2,6-Dimethyl-gamma-pyrone
2,6-dimethyl-
[EINECS(EC#)]

213-719-1
[Molecular Formula]

C7H8O2
[MDL Number]

MFCD00006579
[Molecular Weight]

124.14
[MOL File]

1004-36-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to beige crystalline powder or crystals
[Melting point ]

133-137 °C(lit.)
[Boiling point ]

248-250 °C(lit.)
[density ]

0.9953
[refractive index ]

1.5300 (estimate)
[Fp ]

248-250°C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder or Crystals
[color ]

White to beige
[Water Solubility ]

Slightly soluble in water.
[BRN ]

107418
[InChI]

1S/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3
[InChIKey]

VSYFZULSKMFUJJ-UHFFFAOYSA-N
[SMILES]

CC1=CC(=O)C=C(C)O1
[LogP]

0.100
[CAS DataBase Reference]

1004-36-0(CAS DataBase Reference)
[NIST Chemistry Reference]

4H-Pyran-4-one, 2,6-dimethyl-(1004-36-0)
[EPA Substance Registry System]

2,6-Dimethyl-4H-pyran-4-one (1004-36-0)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P301+P312+P330
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[RTECS ]

UQ0780000
[HS Code ]

29329995
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,6-Dimethyl-4H-pyran-4-one(1004-36-0).msds
Hazard InformationBack Directory
[Chemical Properties]

2,6-Dimethyl-4H-pyran-4-one is white to beige crystalline powder or crystals
[Uses]

2,6-Dimethyl-4H-pyran-4-one is used as a fragrance ingredient.
[Reactions]

2,6-dimethyl-4H-pyran-4-one reacts with Phosgene at room temperature could yield 2,6-bis(4′-chloro-2′,6′-dimethylphenyl)-4H-pyran-4-one, and 2-(4′-chloro-2′,6′-dimethylphenyl)-6-methyl-4H-pyran-4-one[1]. 
2,6-Dimethyl-4H-pyran-4-one
[Synthesis Reference(s)]

Journal of the American Chemical Society, 73, p. 300, 1951 DOI: 10.1021/ja01145a098
[Synthesis]

Step 1: (DADC) 2 mg of the complex (1 equiv) was dissolved in dry pyridine (20% solution) and cooled in an external ice/water bath under N2. The corresponding acid chloride 3 (4.4 equiv) was added at 0-5 °C and stirred at room temperature for 1-2 days.

[References]

[1] Belsky, I. “The reaction of phosgene with 2,6-dimethyl-4H-pyran-4-one.” Tetrahedron 28 4 (1972): Pages 1001-1008.
Spectrum DetailBack Directory
[Spectrum Detail]

2,6-Dimethyl-4H-pyran-4-one(1004-36-0)MS
2,6-Dimethyl-4H-pyran-4-one(1004-36-0)1HNMR
2,6-Dimethyl-4H-pyran-4-one(1004-36-0)13CNMR
2,6-Dimethyl-4H-pyran-4-one(1004-36-0)IR1
2,6-Dimethyl-4H-pyran-4-one(1004-36-0)IR2
2,6-Dimethyl-4H-pyran-4-one(1004-36-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,6-Dimethyl-gamma-pyrone, 99%(1004-36-0)
[Alfa Aesar]

2,6-Dimethyl-4-pyrone, 99%(1004-36-0)
[Sigma Aldrich]

1004-36-0(sigmaaldrich)
[TCI AMERICA]

2,6-Dimethyl-gamma-pyrone,>99.0%(GC)(1004-36-0)
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