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210153

2,2,5-Trimethyl-1,3-dioxane-4,6-dione

Name: 2,2,5-Trimethyl-1,3-dioxane-4,6-dione
Brand: ALDRICH

97%

Synonym(s):

cycl-Isopropylidene methylmalonate, Methyl Meldrum’s acid, Methylmalonic acid cyclic isopropylidene ester

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About This Item

Empirical Formula (Hill Notation):

C₇H₁₀O₄

CAS Number:

3709-18-0

Molecular Weight:

158.15

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24852619

EC Number:

223-050-7

Beilstein/REAXYS Number:

124044

MDL number:

MFCD00006637

Assay:

97%

Form:

solid

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Properties

Quality Segment

200

assay

97%

form

solid

mp

111-114 °C (lit.)

functional group

ester, ketal

SMILES string

CC1C(=O)OC(C)(C)OC1=O

InChI

1S/C7H10O4/c1-4-5(8)10-7(2,3)11-6(4)9/h4H,1-3H3

InChI key

KJMCAXYHYPDRAV-UHFFFAOYSA-N

Description

General description

X-ray irradiated single crystals of 2,2,5-trimethyl-1,3-dioxane-4,6-dione have been investigated by electron spin resonance (ESR), electron nuclear double resonance (ENDOR) and electron-electron double resonance (ELDOR) spectra.

Application

2,2,5-Trimethyl-1,3-dioxane-4,6-dione was used for trapping the adduct formed during the reaction between alkyl isocyanides and dialkyl acetylenedicarboxylates.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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