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Cas Database |
| Name |
Monomethyl fumarate |
EINECS | 220-412-6 |
| CAS No. | 2756-87-8 | Density | 1.266 g/cm3 |
| PSA | 63.60000 | LogP | -0.19980 |
| Solubility | N/A | Melting Point |
144-145 °C(lit.) |
| Formula | C5H6O4 | Boiling Point | 249.959 °C at 760 mmHg |
| Molecular Weight | 130.1 | Flash Point | 108.944 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-39 | Risk Codes | 41 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Butenedioicacid (2E)-, monomethyl ester (9CI);2-Butenedioic acid (E)-, monomethyl ester;Fumaric acid, methyl ester (6CI,7CI);Fumaric acid, monomethyl ester (8CI);Methyl hydrogen fumarate;2-Butenedioic acid(2E)-, 1-methyl ester; |
Article Data | 37 |
Monomethyl fumarate Chemical Properties
Molecule structure of Monomethyl fumarate (CAS NO.2756-87-8):
IUPAC Name: (E)-4-Methoxy-4-oxobut-2-enoic acid
Molecular Weight: 130.09874 g/mol
Molecular Formula: C5H6O4
Density: 1.265 g/cm3
Melting Point: 144-145 °C(lit.)
Boiling Point: 250 °C at 760 mmHg
Flash Point: 108.9 °C
Index of Refraction: 1.468
Molar Refractivity: 28.61 cm3
Molar Volume: 102.7 cm3
Surface Tension: 44 dyne/cm
Enthalpy of Vaporization: 53.65 kJ/mol
Vapour Pressure: 0.00706 mmHg at 25 °C
XLogP3: 0.4
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 3
Exact Mass: 130.026609
MonoIsotopic Mass: 130.026609
Topological Polar Surface Area: 63.6
Heavy Atom Count: 9
Canonical SMILES: COC(=O)C=CC(=O)O
Isomeric SMILES: COC(=O)/C=C/C(=O)O
InChI: InChI=1S/C5H6O4/c1-9-5(8)3-2-4(6)7/h2-3H,1H3,(H,6,7)/b3-2+
InChIKey: NKHAVTQWNUWKEO-NSCUHMNNSA-N
EINECS: 220-412-6
Monomethyl fumarate Uses
Monomethyl fumarate (CAS NO.2756-87-8) is used as feed fungicides.
Monomethyl fumarate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 41
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
WGK Germany: 3
Monomethyl fumarate Specification
Monomethyl fumarate (CAS NO.2756-87-8) is also named as 2-Butenedioic acid, monomethyl ester, (2Z)- ; 2-Butenedioic acid (2Z)-, monomethyl ester ; 2-Butenedioic acid (E)-, monomethyl ester ; Methyl hydrogen fumarate ; 2-Butenedioic acid, monomethyl ester .
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