Calcium monoethylfumarate

Base Information

• Chemical Name: Calcium monoethylfumarate
• CAS No.: 62008-22-4
• Molecular Formula: C6H10CaO4
• Molecular Weight: 326.31
• European Community (EC) Number: 263-369-9
• UNII: 37SBE2S23Q
• Nikkaji Number: J306.961C,J308.865K
• Wikidata: Q27256700
• Mol file: 62008-22-4.mol

Synonyms:calcium monoethylfumarate;ethyl fumarate;ethyl fumarate, 2 copper salt;ethyl fumarate, 2 ferrium salt;ethyl fumarate, calcium salt;ethyl fumarate, lithium salt;ethyl fumarate, maganeese salt;ethyl fumarate, sodium salt;ethyl fumarate, zinc salt;ethylhydrogenfumarate;fumaric acid monoethyl ester;monoethyl fumarate;zinc monoethylfumarate

Chemical Property of Calcium monoethylfumarate

Chemical Property:

• Vapor Pressure: 0.0034mmHg at 25°C
• Melting Point: 285oC (dec.)(lit.)
• Boiling Point: 261.6°C at 760 mmHg
• Flash Point: 109.6°C
• PSA: 105.20000
• LogP: 0.22640
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 326.0314583
• Heavy Atom Count: 21
• Complexity: 154

Purity/Quality:

99%, ^*data from raw suppliers

FumaricAcidMonoethylEsterCalciumSalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=CC(=O)[O-].CCOC(=O)C=CC(=O)[O-].[Ca+2]
• Isomeric SMILES: CCOC(=O)/C=C/C(=O)[O-].CCOC(=O)/C=C/C(=O)[O-].[Ca+2]
• Uses: The calcium salt of Fumaric Acid Monoethyl Ester (F500385), an anti-psoriatic fumaric acid ester. Fumaric Acid Monoethyl Ester inhibited thymidine-14C incorporation into DNA by cultured human lymphocy tes. Fumaric Acid Monoethyl Ester has been shown to evoke transient increase in intracellular free calcium concentration and inhibit proliferation of human keratinocytes. The calcium salt of Fumaric Acid Monoethyl Ester (F500385), an anti-psoriatic fumaric acid ester. Fumaric Acid Monoethyl Ester inhibited thymidine-14C incorporation into DNA by cultured human lymphocytes. Fumaric Acid Monoethyl Ester has been shown to evoke transient increase in intracellular free calcium concentration and inhibit proliferation of human keratinocytes.