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691380 Sigma-Aldrich

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

Lonza quality, ≥93.0% (GC)

Synonym: Diketene acetone adduct, TMD

  • CAS Number 5394-63-8

  • Empirical Formula (Hill Notation) C7H10O3

  • Molecular Weight 142.15

  •  Beilstein/REAXYS Number 2408

  •  MDL number MFCD00040468

  •  PubChem Substance ID 329761403

  •  NACRES NA.22

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Properties

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grade   Lonza quality
assay   ≥93.0% (GC)
mfr. no.   Lonza Ltd
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. It can also acetoacetylate amines and thiols.

Packaging

1 kg in glass bottle

25 kg in composite drum

Caution

products darkens with time

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 1993BE 3 / PGII
WGK Germany 
WGK 1
Flash Point(F) 
57.2 °F - closed cup
Flash Point(C) 
14 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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