245100

2,2,6-Trimethyl-4H-1,3-dioxin-4-one

95%

• Synonym(s): Diketene acetone adduct
• Empirical Formula (Hill Notation): C₇H₁₀O₃
• CAS Number: 5394-63-8
• Molecular Weight: 142.15
• Beilstein: 2408
• MDL number: MFCD00040468
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854732
• NACRES: NA.22

Properties

• Assay: 95%
• form: liquid
• refractive index: n20/D 1.460 (lit.)
• bp: ~275 °C (lit.); 65-67 °C/2 mmHg (lit.)
• mp: 12-13 °C (lit.)
• solubility: water: insoluble
• density: 1.07 g/mL at 25 °C (lit.)
• functional group: ester
• SMILES string: CC1=CC(=O)OC(C)(C)O1
• InChI: 1S/C7H10O3/c1-5-4-6(8)10-7(2,3)9-5/h4H,1-3H3
• InChI key: XFRBXZCBOYNMJP-UHFFFAOYSA-N

Description

General description

2,2,6-Trimethyl-4H-1,3-dioxin-4-one is used as a building block in organic synthesis and serves as a direct precursor to β-dicarbonyl compounds

Application

2,2,6-Trimethyl-4H-1,3-dioxin-4-one was used in the synthesis of acetylketene by flash pyrolysis.

Other Notes

remainder acetone

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Danger
• Hazard Statements: H225,H319
• Precautionary Statements: P210 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 57.2 °F - closed cup
• Flash Point(C): 14 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves