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Merck
CN

278041

Diethyl tert-butylmalonate

96%

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About This Item

Linear Formula:
(CH3)3CCH(COOC2H5)2
CAS Number:
Molecular Weight:
216.27
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
212-067-5
Beilstein/REAXYS Number:
1781709
MDL number:
Assay:
96%
Form:
liquid
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Quality Segment

assay

96%

form

liquid

refractive index

n20/D 1.425 (lit.)

bp

102-104 °C/11 mmHg (lit.)

density

1.014 g/mL at 25 °C (lit.)

functional group

ester

SMILES string

CCOC(=O)C(C(=O)OCC)C(C)(C)C

InChI

1S/C11H20O4/c1-6-14-9(12)8(11(3,4)5)10(13)15-7-2/h8H,6-7H2,1-5H3

InChI key

RJNICNBRGVKNSR-UHFFFAOYSA-N

Application

Diethyl tert-butylmalonate has been used in the preparation of enantiomers of 4-tert-butyl-3-isopropyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-sulfide (TBIPPS).


Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

199.4 °F - closed cup

flash_point_c

93 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)



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