1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione , Null , 22767-90-4

Synonym(s):
Pivaloyltrifluoroacetone;PTA

CAS NO.：22767-90-4

Empirical Formula: C8H11F3O2

Molecular Weight: 196.17

MDL number: MFCD00040841

EINECS: 245-211-0

PRODUCT Properties

• Boiling point: 138-141 °C (lit.)
• Density: 1.129 g/mL at 25 °C (lit.)
• refractive index: n20/D 1.407(lit.)
• Flash point: 105 °F
• storage temp.: Flammables area
• form: liquid
• pka: 6.78±0.10(Predicted)
• Specific Gravity: 1.129
• color: Clear, colourless
• BRN: 1708830
• InChI: 1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3
• InChIKey: BVPKYBMUQDZTJH-UHFFFAOYSA-N
• SMILES: CC(C)(C)C(=O)CC(=O)C(F)(F)F
• CAS DataBase Reference: 22767-90-4(CAS DataBase Reference)
• EPA Substance Registry System: 2,4-Hexanedione, 1,1,1-trifluoro-5,5-dimethyl- (22767-90-4)

Description and Uses

1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione (TFDMHD) may be used in the synthesis of series of NNO ketoimines bearing trifluoromethyl substituents, via Schiff base condensation. It may be used in the synthesis of octahedral Werner-type cobalt(II) complexes. It was used in the preparation of D₂-TFDMHD, by mixing with D₂O.

Safety

• Symbol(GHS): GHS02
• Signal word: Warning
• Hazard statements: H226
• Precautionary statements: P210-P240-P241-P280a-P303+P361+P353-P501a
• PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
• Hazard Codes: C,F
• Risk Statements: 10
• Safety Statements: 16
• RIDADR: UN 1224 3/PG 3
• WGK Germany: 3
• Hazard Note: Flammable
• TSCA: TSCA listed
• HazardClass: 3
• PackingGroup: III
• HS Code: 29147000
• Storage Class: 3 - Flammable liquids
• Hazard Classifications: Flam. Liq. 3
• Limited Quantities: 5.0 L (1.3 gallons) (liquid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)