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Merck
CN

W237507

Diethyl malonate

≥98%, FG

Synonym(s):

Malonic acid diethyl ester

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About This Item

Linear Formula:
CH2(COOC2H5)2
CAS Number:
105-53-3
Molecular Weight:
160.17
FEMA Number:
2375
Council of Europe no.:
2106
UNSPSC Code:
12164502
PubChem Substance ID:
24901030
Flavis number:
9.490
EC Number:
203-305-9
NACRES:
NA.21
MDL number:
MFCD00009195
Beilstein/REAXYS Number:
774687
Organoleptic:
apple; green; fruity; sweet
Grade:
FG
Halal
Biological source:
synthetic
Agency:
meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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Product Name

Diethyl malonate, ≥98%, FG

SMILES string

CCOC(=O)CC(=O)OCC

InChI key

IYXGSMUGOJNHAZ-UHFFFAOYSA-N

InChI

1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3

biological source

synthetic

grade

FG
Halal

agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 117
FDA 21 CFR 172.515

vapor density

5.52 (vs air)

vapor pressure

1 mmHg ( 40 °C)

assay

≥98%

refractive index

n20/D 1.413 (lit.)

bp

199 °C (lit.)

mp

−51-−50 °C (lit.)

density

1.055 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

apple; green; fruity; sweet

Quality Level

300

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Application


  • Synthesis and biological activities of novel structural analogues of 2-arachidonoylglycerol, an endogenous cannabinoid receptor ligand.: This study by Suhara et al. focuses on the synthesis of novel structural analogues of 2-arachidonoylglycerol, an endogenous ligand for cannabinoid receptors. The research highlights the utilization of diethyl malonate in the synthesis process, emphasizing its importance in creating biologically active compounds with potential therapeutic applications in modulating cannabinoid receptor activity (Suhara et al., 2001).

General description

Diethyl malonate is an active methylene compound that can be used as a flavoring agent in the food industry.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319

Hazard Classifications

Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 1

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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Certificates of Analysis (COA)

Lot/Batch Number
SHBP5407
SHBP8722
SHBP3278
SHBP6714
STBJ7904

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Encyclopedia of Food and Color Additives, 1, 818-818 (1997)
Encyclopedia of Food and Color Additives, 1, 818-818 (1997)
Renhua Fan et al.
The Journal of organic chemistry, 72(15), 5905-5907 (2007-06-26)
A highly efficient, one-flask tandem Knoevenagel-Michael addition reaction of sulfonimines with diethyl malonate in the presence of a catalytic amount of base affords the corresponding arylidene dimalonates in good to excellent yields.
Alessandro Marrone et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 15(43), 11537-11550 (2009-09-25)
The condensation of dialkyl beta-diesters with various aldehydes promoted by TiCl4 has been studied by DFT approaches and experimental methods, including NMR, IR and UV/Vis spectroscopy. Various possible reaction pathways have been investigated and their energy profiles evaluated to find
Chunying Shu et al.
Journal of the American Chemical Society, 129(50), 15710-15717 (2007-11-22)
The first reactions of trimetallic nitride templated endohedral metallofullerenes (TNT EMFs) with carbon radicals generated from diethyl malonate catalyzed by manganese(III) acetate are reported. Two methano monoadducts, Sc3N@C80-A and Sc3N@C80-B, were isolated and characterized. Sc3N@C80-A contains two ester moieties, whereas
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