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

Catalog No. AAA1425436
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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.

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

Specifications

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

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

RUO – Research Use Only

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