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Diethyl malonate

CAS 105-53-3C7H12O4MW 160.07 g/mol

Diethyl malonate (CAS 105-53-3) — formula C7H12O4, molecular weight 160.07 g/mol.

Specifications

CAS Number105-53-3
Molecular FormulaC7H12O4
Molecular Weight160.07 g/mol
Melting Point-50 °C
Boiling Point200 °C
LogP1

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What this product is

Diethyl malonate is a chemical compound with CAS registry number 105-53-3 and molecular formula C7H12O4 (molecular weight 160.07 g/mol).

Identification

CAS number: 105-53-3

Its molecular formula C7H12O4 comprises 7 C, 12 H, 4 O atoms.

Also known as: Diethyl malonate · Ethyl malonate

Frequently Asked Questions

What is the CAS number of Diethyl malonate?

The CAS registry number of Diethyl malonate is 105-53-3.

What is the molecular formula and molecular weight of Diethyl malonate?

Molecular formula C7H12O4, molecular weight 160.07 g/mol.

What other names is Diethyl malonate known by?

It is also registered under: Diethyl malonate, Ethyl malonate.

PubChem Public Data

Public-database records for Diethyl malonate (CAS 105-53-3), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary2.7% (69 / 2532)
Reported hazard statementsH319 (96.9%), H227, H402

This chemical does not meet GHS hazard criteria for 2.7% (69 of 2532) of reports.

H319 (96.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Regulatory listings

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Apple
Not evaluated
GHS notification summary2.7% (69 / 2532)

Physical description and handling notes

  • Liquid; Other Solid; Liquid
  • Colorless liquid with a sweet ester odor; [Hawley]
  • Liquid
  • COLOURLESS LIQUID.
  • colourless liquid with slightly fruity odour
  • Colorless liquid

Reported physical properties

沸点200 °C
沸点199.00 to 200.00 °C. @ 760.00 mm Hg
沸点199 °C
沸点199-200 °C
沸点198.9 °C @760 [mm Hg]
熔点-50 °C
熔点-49.8 °C
闪点200 °F (93 °C) (open cup)
闪点85 °C c.c.
溶解度In water, 20 g/L at 20 °C

How this substance is indexed

CAS Registry Number105-53-3
PubChem CID7761
分子式C7H12O4
分子量160.07 g/mol
IUPAC 名称diethyl propanedioate
InChIKeyIYXGSMUGOJNHAZ-UHFFFAOYSA-N
UNII(FDA)53A58PA183
ChEBI 编号CHEBI:167785
FEMA 编号2375
JECFA 编号614

Documented uses

  • CIR ingredient: Diethyl Malonate
  • Used to make barbiturates and pigments and as a flavoring; [Hawley] Used to make agrochemicals and industrial chemicals; [eChemPortal: SIDSUNEP]
  • Dimethyl and diethyl malonates are widely used for the production of vitamins, pharmaceuticals, agrochemicals, fragrances, and dyes.
  • Table: Reported uses (ppm): [Table#8510]
  • Diethyl malonate was used to investigate Knoevenagel condensation reactions in microreactor using zeolite catalysts obtained by grafting amino groups onto NaX and CsNaX zeolites. It may be used in the synthesis of diethyl benzylidenemalonate by base catalyzed Knoevenagel condensation with benzaldehyde. It may be used in the synthesis of a-aryl malonates
  • Table: Concentration in final product (%) [Table#8511]

Names this substance appears under

DIETHYL MALONATE; 105-53-3; Diethyl propanedioate; Ethyl malonate; Malonic ester; Propanedioic acid, diethyl ester; Carbethoxyacetic ester; Malonic acid, diethyl ester; Dicarbethoxymethane; 1,3-diethyl propanedioate; Ethyl propanedioate; Ethyl methanedicarboxylate; Methanedicarboxylic acid, diethyl ester; FEMA No. 2375; DTXSID7021863; Propanedioic acid, 1,3-diethyl ester

Computed molecular descriptors

分子量160.17
XLogP31
氢键供体数0
氢键受体数4
可旋转键数6
精确质量160.07355886
单同位素质量160.07355886
拓扑极性表面积52.6
重原子数11
形式电荷0

Database abstract

Diethyl malonate is identified by CAS 105-53-3, molecular formula C7H12O4 and molecular weight 160.07 g/mol. UNII 53A58PA183; ChEBI 167785; InChIKey IYXGSMUGOJNHAZ-UHFFFAOYSA-N. 沸点: 200 °C; 沸点: 199.00 to 200.00 °C. @ 760.00 mm Hg; 沸点: 199 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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