2,2,6-Trimethyl-1,3-dioxin-4-one, cont. up to ca 6% acetone, Thermo Scientific Chemicals

Description

2,2,6-Trimethyl-1,3-dioxin-4-one is used in the synthesis of dihydropyrimininones as picomolar sodium iodide symporter inhibitors. It is also used in the synthesis of resorcinol amide Hsp90 Inhibitor AT13387. It is used in the synthesis of acetylketene by flash pyrolysis.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
2,2,6-Trimethyl-1,3-dioxin-4-one is used in the synthesis of dihydropyrimininones as picomolar sodium iodide symporter inhibitors. It is also used in the synthesis of resorcinol amide Hsp90 Inhibitor AT13387. It is used in the synthesis of acetylketene by flash pyrolysis.

Solubility
Soluble in Chloroform, Methanol. Not miscible in water.

Notes
Store at 4°C. Protect from heat. Store away from oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 5394-63-8
• Molecular Formula: C7H10O3
• Molecular Weight (g/mol): 142.154
• MDL Number: MFCD00040468
• InChI Key: XFRBXZCBOYNMJP-UHFFFAOYSA-N
• Synonym: 2,2,6-trimethyl-4h-1,3-dioxin-4-one, 2,2,4-trimethyl-6-keto-1,3-dioxin, diketene acetone adduct, 4h-1,3-dioxin-4-one, 2,2,6-trimethyl, 2,2,6-trimethyl-1,3-dioxen-4-one, 2,2,6-trimethyl-1,3-dioxine-4-one, 2,2,6-trimethyl-1,3 dioxin-4-one, pubchem20364, 2,2,6-trimethyl-4h-1,3-dioxin-4-on, acmc-1akcb
• PubChem CID: 79368
• IUPAC Name: 2,2,6-trimethyl-1,3-dioxin-4-one
• SMILES: CC1=CC(=O)OC(O1)(C)C

• Melting Point: 7°C
• Density: 1.094
• Boiling Point: 65°C to 67°C (2 mmHg)
• Flash Point: 14°C (57°F)
• Refractive Index: 1.461
• Quantity: 500 g
• UN Number: UN1993
• Beilstein: 2408
• Solubility Information: Soluble in Chloroform,Methanol. Not miscible in water.
• Formula Weight: 142.15
• Percent Purity: 94%
• Assay: cont. up to ≈6% acetone
• Chemical Name or Material: 2,2,6-Trimethyl-1,3-dioxin-4-one

Safety and Handling

Hazard Category	H225-H319-H336
Hazard Statement	GHS H Statement H225-H315-H319-H335 Highly flammable liquid and vapour. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P210-P233-P240-P241-P242-P243-P264b-P280-P303+P361+P353-P305+P351+P338-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 3; Packing Group: II; Proper Shipping Name: FLAMMABLE LIQUIDS, N.O.S.
EINECSNumber	226-403-3
TSCA	No
Recommended Storage	Keep cold

SDS

RUO – Research Use Only