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Merck
CN

245100

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

95%

Synonym(s):

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:
24854732
MDL number:
MFCD00040468
Beilstein/REAXYS Number:
2408
Assay:
95%
Form:
liquid

Key Documents

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InChI

1S/C7H10O3/c1-5-4-6(8)10-7(2,3)9-5/h4H,1-3H3

SMILES string

CC1=CC(=O)OC(C)(C)O1

InChI key

XFRBXZCBOYNMJP-UHFFFAOYSA-N

assay

95%

form

liquid

Quality Level

200

refractive index

n20/D 1.460 (lit.)

bp

~275 °C (lit.), 65-67 °C/2 mmHg (lit.)

mp

12-13 °C (lit.)

solubility

water: insoluble

density

1.07 g/mL at 25 °C (lit.)

functional group

ester, ether, ketal

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General description

2,2,6-Trimethyl-4H-1,3-dioxin-4-one is used as a building block in organic synthesis and serves as a direct precursor to β-dicarbonyl compounds

Application

2,2,6-Trimethyl-4H-1,3-dioxin-4-one was used in the synthesis of acetylketene by flash pyrolysis.

Other Notes

remainder acetone

pictograms

FlameExclamation mark
GHS02,GHS07

Storage Class

3 - Flammable liquids

wgk

WGK 1

ppe

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

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3

flash_point_f

75.2 °F - closed cup

flash_point_c

24 °C - closed cup

signalword

Warning

hcodes

H226,H319

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV1330
MKCT4311
MKCT1967
MKCT7882
MKCQ3473

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2, 2, 6-Trimethyl-4H-1, 3-dioxin-4-one
M Seyyedhamzeh, et al.
Synlett, 23, 1556-1557 (2012)
David M. Birney et al.
The Journal of organic chemistry, 62(21), 7114-7120 (2001-10-24)
Acetylketene (1) was generated by flash pyrolysis of 2,2,6-trimethyl-4H-1,3-dioxin-4-one (6). The selectivities of 1 toward a number of representative functional groups were measured for the first time in a series of competitive trapping reactions. The trend in reactivities toward 1

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