-
Name
Monomethyl fumarate
- EINECS 220-412-6
- CAS No. 2756-87-8
- Article Data37
- CAS DataBase
- Density 1.266 g/cm3
- Solubility
- 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
- Appearance
- 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;
- PSA 63.60000
- LogP -0.19980
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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