Diethyl fumarate

Description

Diethyl fumarate · CAS 623-91-6 · C8H12O4. UNII 5WBU5A3E8A. Boiling Point: 214 °C; Melting Point: 0.8 °C; Flash Point: 104 °C Closed Cup.

Identification

CAS Registry Number	623-91-6
PubChem CID	638144
Molecular formula	C8H12O4
IUPAC name	diethyl (E)-but-2-enedioate
UNII (FDA)	5WBU5A3E8A

Computed Descriptors

Molecular Weight	172.18
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	172.07355886
Monoisotopic Mass	172.07355886
Topological Polar Surface Area	52.6
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Boiling Point	214 °C
Melting Point	0.8 °C
Flash Point	104 °C Closed Cup
Density	1.0452 g/cu cm at 20 °C
Vapor Density	5.93 (Air = 1)
Vapor Pressure	0.17 [mmHg]
Autoignition Temperature	220 °F (104 °C)

Physical description & handling notes

• Colorless liquid; [CHEMINFO]
• White crystal or in liquid form
• Insoluble in water; soluble in acetone and choloform
• SLIGHTLY SOL IN WATER
• Vapor pressure: 1 mm Hg at 53.2 °C
• When heated to decomposition it emits acrid smoke and fumes.

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances Flavoring Agents
GHS notification summary	1.7% (6 / 351)

GHS Hazard Classification

GHS notification summary	1.7% (6 / 351)
Reported hazard statements	H302 (98%), H315 (15.4%), H317 (11.7%), H335 (15.7%), H371 (30.2%), H373 (35.9%), H401

Documented Uses

• Used as a co-monomer to make polymers; [HSDB]
• COMONOMER FOR POLYMERS, EG, WITH STYRENE & VINYL CHLORIDE
• It is used as a ... comonomer for production of polystyrene.
• ESTERIFICATION OF ETHYL ALCOHOL WITH FUMARIC ACID
• (1979) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.
• (1981) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.

Synonyms

Diethyl fumarate; 623-91-6; Fumaric acid, diethyl ester; 2-Butenedioic acid (E)-, diethyl ester; Diethylester kyseliny fumarove; 2-Butenedioic acid (2E)-, diethyl ester; 2-Butenedioic acid, diethyl ester, (E)-; trans-2-Butenedioic acid diethyl ester; 5WBU5A3E8A; NSC-20954; CHEBI:87388; RefChem:587225; 210-819-7; 1,4-diethyl (2Z)-but-2-enedioate; Anti-Psoriaticum; diethyl (E)-but-2-enedioate

Frequently Asked Questions

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

CAS 623-91-6; molecular formula C8H12O4; molecular weight — g/mol.

What other names is Diethyl fumarate known by?

Diethyl fumarate, 623-91-6, Fumaric acid, diethyl ester, 2-Butenedioic acid (E)-, diethyl ester, Diethylester kyseliny fumarove, 2-Butenedioic acid (2E)-, diethyl ester.

What is the regulatory status of Diethyl fumarate?

Documented regulatory listings: EU Flavoring substances; Flavoring Agents.

Is Diethyl fumarate classified as hazardous?

1.7% of GHS notifications report no hazard classification (6 of 351).

What are the key physical properties of Diethyl fumarate?

Boiling Point: 214 °C; Melting Point: 0.8 °C; Flash Point: 104 °C Closed Cup; Density: 1.0452 g/cu cm at 20 °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.