Fumaric acid, ethyl 2,3-epoxypropyl ester (25876-47-5),Fumaric acid, ethyl 2,3-epoxypropyl ester (25876-47-5) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
2-Butenedioic acid(2E)-, ethyl oxiranylmethyl ester (9CI)
CAS No.:
25876-47-5
Molecular Structure:
Formula:
C9H12 O5
Molecular Weight:
200.21
Synonyms:
2-Butenedioicacid (E)-, ethyl oxiranylmethyl ester; Ethyl glycidyl fumarate
Density:
1.213g/cm³
Boiling Point:
315.1°Cat760mmHg
Flash Point:
139.1°C
Safety Description:
Poison by skin contact. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS. Details

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Chemistry

Product Name: Fumaric acid, ethyl 2,3-epoxypropyl ester (CAS NO.25876-47-5)

Molecular Formula: C₉H₁₂O₅
Molecular Weight: 200.21g/mol
Mol File: 25876-47-5.mol
Boiling point: 315.1 °C at 760 mmHg
Flash Point: 139.1 °C
Density: 1.213 g/cm³
Surface Tension: 43.8 dyne/cm
Enthalpy of Vaporization: 55.63 kJ/mol
Vapour Pressure: 0.000448 mmHg at 25°C
XLogP3-AA: 0.3
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of Fumaric acid, ethyl 2,3-epoxypropyl ester (CAS NO.25876-47-5):
IUPAC Name: 4-O-ethyl 1-O-(oxiran-2-ylmethyl) (Z)-but-2-enedioate
Canonical SMILES: CCOC(=O)C=CC(=O)OCC1CO1
Isomeric SMILES: CCOC(=O)/C=C\C(=O)OCC1CO1
InChI: InChI=1S/C9H12O5/c1-2-12-8(10)3-4-9(11)14-6-7-5-13-7/h3-4,7H,2,5-6H2,1H3/b4-3-
InChIKey: SFUDBXKBPOKIIW-ARJAWSKDSA-N

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	350uL/kg (0.35mL/kg)		American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat	LD50	oral	1620uL/kg (1.62mL/kg)		American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Safety Profile

Poison by skin contact. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Specification

Fumaric acid, ethyl 2,3-epoxypropyl ester , its CAS NO. is 25876-47-5, the synonyms are Ethyl 2,3-epoxypropyl fumarate ; Ethyl glycidyl fumarate ; 2-Butenedioic acid (E)-, ethyl oxiranylmethyl ester (9CI) .