丙二酸乙酯

Description

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. Boiling Point: 200 °C; Boiling Point: 199.00 to 200.00 °C. @ 760.00 mm Hg; Boiling Point: 199 °C.

Identification

CAS Registry Number	105-53-3
PubChem CID	7761
Molecular formula	C7H12O4
Molecular weight	160.07 g/mol
IUPAC name	diethyl propanedioate
InChIKey	IYXGSMUGOJNHAZ-UHFFFAOYSA-N
UNII (FDA)	53A58PA183
ChEBI ID	CHEBI:167785
FEMA number	2375
JECFA number	614

Computed Descriptors

Molecular Weight	160.17
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	160.07355886
Monoisotopic Mass	160.07355886
Topological Polar Surface Area	52.6
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	200 °C
Boiling Point	199.00 to 200.00 °C. @ 760.00 mm Hg
Boiling Point	199 °C
Boiling Point	199-200 °C
Boiling Point	198.9 °C @760 [mm Hg]
Melting Point	-50 °C
Melting Point	-49.8 °C
Flash Point	200 °F (93 °C) (open cup)
Flash Point	85 °C c.c.
Solubility	In water, 20 g/L at 20 °C

Physical description & 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

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Apple Not evaluated
GHS notification summary	2.7% (69 / 2532)

GHS Hazard Classification

GHS notification summary	2.7% (69 / 2532)
Reported hazard statements	H319 (96.9%), H227, H402

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]

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of Diethyl malonate?

CAS 105-53-3; molecular formula C7H12O4; molecular weight 160.07 g/mol.

What other names is Diethyl malonate known by?

DIETHYL MALONATE, 105-53-3, Diethyl propanedioate, Ethyl malonate, Malonic ester, Propanedioic acid, diethyl ester.

What is the regulatory status of Diethyl malonate?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Diethyl malonate classified as hazardous?

2.7% of GHS notifications report no hazard classification (69 of 2532).

What are the key physical properties of Diethyl malonate?

Boiling Point: 200 °C; Boiling Point: 199.00 to 200.00 °C. @ 760.00 mm Hg; Boiling Point: 199 °C; Boiling Point: 199-200 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.