| Identification | More | [Name]
3-METHYL-2,4-PENTANEDIONE | [CAS]
815-57-6 | [Synonyms]
1,1-DIACETYLETHANE
3-ACETYL-2-BUTANONE
3-ACETYLBUTAN-2-ONE
3-METHYL-2,4-PENTANEDIONE
3-METHYLPENTANE-2,4-DIONE
METHYLACETYLACETONE
3-methyl-2,4-pentanedione,mixtureoftautomers
3-Methyl-2,4-Pentanedione,>95%
3-METHYL-2,4-PENTANEDIONE: TECH., 90%
3-METHYL-2,4-PENTANEDIONE MIXTURE OF TAUTOMERS TECH. 85%
3-METHYL-2,4-PENTANEDIONE 96+%
3-Methyl-2,4-pentanedione, 85%, mixture of tautomers, tech.
3-Methyl-2,4-pentanedione, tech., mixture of tautomers
3-Acetylbutane-2-one
3-Methyl-2,4-pentadione | [EINECS(EC#)]
212-420-3 | [Molecular Formula]
C6H10O2 | [MDL Number]
MFCD00008762 | [Molecular Weight]
114.14 | [MOL File]
815-57-6.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colourless to yellow liquid | [Melting point ]
-7.75°C (estimate) | [Boiling point ]
172-174 °C(lit.)
| [density ]
0.981 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.442(lit.)
| [Fp ]
134 °F
| [storage temp. ]
Inert atmosphere,2-8°C | [form ]
clear liquid | [pka]
pK1:10.87 (25°C) | [color ]
Light yellow to Yellow to Green | [Water Solubility ]
Soluble in water. | [BRN ]
635909 | [InChI]
InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3 | [InChIKey]
GSOHKPVFCOWKPU-UHFFFAOYSA-N | [SMILES]
CC(=O)C(C)C(=O)C | [LogP]
0.623 (est) | [CAS DataBase Reference]
815-57-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 1224 3/PG 3
| [WGK Germany ]
3
| [HS Code ]
2914.19.0000 | [HazardClass ]
3 | [PackingGroup ]
III | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colourless to yellow liquid | [Uses]
3-Methyl-2,4-pentanedione involves in asymmetric substitution of 1,3-diphenyl-2-propenyl acetate catalyzed by amphiphilic resin-supported monodentate phosphine ligands can occur. | [Synthesis Reference(s)]
Chemistry Letters, 8, p. 45, 1979
Journal of the American Chemical Society, 90, p. 2421, 1968 DOI: 10.1021/ja01011a039
Organic Syntheses, Coll. Vol. 5, p. 785, 1973 | [General Description]
Peroxynitrite promoted aerobic oxidation of 3-methyl-2,4-pentanedione has been reported. The kinetics of the reaction of OH radicals with 3-methyl-2,4-pentanedione has been investigated in the gas-phase using a pulsed laser photolysis-laser induced fluorescence technique. 3-methyl-2,4-pentanedione participates in asymmetric substitution of 1,3-diphenyl-2-propenyl acetate catalyzed by amphiphilic resin-supported monodentate phosphine ligands. |
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