299383

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

technical grade

• Synonym(s): Diketene acetone adduct
• Empirical Formula (Hill Notation): C₇H₁₀O₃
• CAS Number: 5394-63-8
• Molecular Weight: 142.15
• Beilstein/REAXYS Number: 2408
• EC Number: 226-403-3
• MDL number: MFCD00040468
• UNSPSC Code: 12352100
• PubChem Substance ID: 24858039

Properties

• grade: technical grade
• 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.)
• 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

Flash pyrolysis of 2,2,6-trimethyl-4H-1,3-dioxin-4-one generates acetylketene. It is a diketene-acetone adduct.

Application

2,2,6-trimethyl-4H-1,3-dioxin-4-one was used for acetoacetylation of aliphatic and aromatic alcohols, amines and thiols. It was also used in preparation of N-alkenyl acetoacetamides.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H319
• pcodes: P210 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 57.2 °F - closed cup
• flash_point_c: 14 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter