- Fumaric acid
- Fumaric acid, ethyl 2,3-epoxypropyl ester
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| Name |
Fumaric acid, ethyl 2,3-epoxypropyl ester |
EINECS | N/A |
| CAS No. | 25876-47-5 | Density | 1.213g/cm3 |
| PSA | 65.13000 | LogP | 0.04770 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H12 O5 | Boiling Point | 315.1°Cat760mmHg |
| Molecular Weight | 200.21 | Flash Point | 139.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by skin contact. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Butenedioicacid (E)-, ethyl oxiranylmethyl ester; Ethyl glycidyl fumarate |
Fumaric acid, ethyl 2,3-epoxypropyl ester Chemical Properties
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
Fumaric acid, ethyl 2,3-epoxypropyl ester 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. |
Fumaric acid, ethyl 2,3-epoxypropyl ester Safety Profile
Poison by skin contact. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Fumaric acid, ethyl 2,3-epoxypropyl ester 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) .
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