Monobutyl maleate

Base Information

• Chemical Name: Monobutyl maleate
• CAS No.: 68186-71-0
• Deprecated CAS: 144472-84-4,45019-36-1,50821-55-1,45019-36-1
• Molecular Formula: C8H12O4
• Molecular Weight: 172.1785
• European Community (EC) Number: 213-116-3
• UNII: F2LD7FVO1L
• DSSTox Substance ID: DTXSID2027337
• Nikkaji Number: J102.416G
• Wikidata: Q27277547
• Mol file: 68186-71-0.mol

Synonyms:monobutyl maleate;n-butyl maleate

Chemical Property of Monobutyl maleate

Chemical Property:

• Boiling Point: 289.1°Cat760mmHg
• Flash Point: 113.9°C
• Density: 1.13g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 172.07355886
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCOC(=O)C=CC(=O)O
• Isomeric SMILES: CCCCOC(=O)/C=C\C(=O)O

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