691380

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

Arxada quality, ≥93.0% (GC)

• Synonym(s): TMD, Diketene acetone adduct
• Empirical Formula (Hill Notation): C₇H₁₀O₃
• CAS Number: 5394-63-8
• Molecular Weight: 142.15
• Beilstein/REAXYS Number: 2408
• MDL number: MFCD00040468
• UNSPSC Code: 12352100
• PubChem Substance ID: 329761403
• NACRES: NA.22

Properties

• assay: ≥93.0% (GC)
• form: liquid
• quality: Arxada quality
• manufacturer/tradename: Arxada AG
• impurities: ≤0.10% diketene (GC); ≤0.4% dehydracetic acid (GC); ≤0.5% 4-methyl-3-penten-2-one (GC); ≤6.0% acetone (GC)
• refractive index: n20/D 1.460 (lit.)
• bp: ~275 °C (lit.); 65-67 °C/2 mmHg (lit.)
• mp: 12-13 °C (lit.)
• solubility: H₂O: insoluble
• density: 1.07 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• 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

Application

2,2,6-Trimethyl-4H-1,3-dioxin-4-one is generally used as a reactant for the synthesis of acetoacetic esters from aliphatic as well as aromatic alcohols.[1][2] It can also acetoacetylate amines and thiols.[3]

Caution

products darkens with time

Safety Information

• pictograms: GHS02,GHS07
• signalword: Danger
• hcodes: H225,H319
• pcodes: P210 - P233 - P240 - P241 - P242 - 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