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Merck
CN

691380

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

Arxada quality, ≥93.0% (GC)

Synonym(s):

TMD, Diketene acetone adduct

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About This Item

Empirical Formula (Hill Notation):
C7H10O3
CAS Number:
5394-63-8
Molecular Weight:
142.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
329761403
MDL number:
MFCD00040468
Beilstein/REAXYS Number:
2408
Assay:
≥93.0% (GC)
Form:
liquid

Key Documents

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InChI key

XFRBXZCBOYNMJP-UHFFFAOYSA-N

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

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)

Quality Level

200

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

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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.

Disclaimer

products darkens with time

pictograms

FlameExclamation mark
GHS02,GHS07

Storage Class

3 - Flammable liquids

wgk

WGK 1

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

signalword

Warning

hcodes

H226,H319

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3

flash_point_f

75.2 °F - closed cup

flash_point_c

24 °C - closed cup

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCM9177
BCCJ6981
BCCG7188
BCCC3232
BCCF9168

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Synthesis, study of 3D structures, and pharmacological activities of lipophilic nitroimidazolyl-1, 4-dihydropyridines as calcium channel antagonist
Miri R, et al.
Bioorganic & Medicinal Chemistry, 14(14), 4842-4849 (2006)
Synthesis and biological evaluation of some new 1, 4-dihydropyridines containing different ester substitute and diethyl carbamoyl group as anti-tubercular agents
Khoshneviszadeh M, et al.
Bioorganic & Medicinal Chemistry, 17(4), 1579-1586 (2009)
Acetoacetylation with 2, 2, 6-trimethyl-4H-1, 3-dioxin-4-one: a convenient alternative to diketene.
Clemens RJ and Hyatt JA.
The Journal of Organic Chemistry, 50(14), 2431-2435 (1985)

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