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691380

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

Name: 2,2,6-Trimethyl-4<I>H</I>-1,3-dioxin-4-one
Brand: ALDRICH

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

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Properties

Quality Segment

200

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. It can also acetoacetylate amines and thiols.

Disclaimer

products darkens with time

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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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)

Global Trade Item Number

SKU	GTIN
691380-25KG	04061838085009
691380-180KG	04061838351791
691380-1KG	04061838091321