MilliporeSigma
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691380

Sigma-Aldrich

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:
Molecular Weight:
142.15
Beilstein:
2408
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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

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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, 180 kg

Caution

products darkens with time

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

57.2 °F - closed cup

Flash Point(C)

14 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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