1-(4-Pentenoyl)-2,3,6-trihydroxybenzene

Base Information

• Chemical Name: 1-(4-Pentenoyl)-2,3,6-trihydroxybenzene
• CAS No.: 6826-42-2
• Molecular Formula: C11H12O4
• Molecular Weight: 208.21
• DSSTox Substance ID: DTXSID80987789
• Mol file: 6826-42-2.mol

Synonyms:Maltoryzine;1-(2,3,6-trihydroxyphenyl)pent-3-en-1-one;DTXSID80987789;FT-0670934

Chemical Property of 1-(4-Pentenoyl)-2,3,6-trihydroxybenzene

Chemical Property:

• Vapor Pressure: 5.41E-07mmHg at 25°C
• Melting Point: 68.9-69.0 °C (decomp)
• Refractive Index: 1.618
• Boiling Point: 400.7 °C at 760 mmHg
• PKA: 7.47±0.40(Predicted)
• Flash Point: 210.3 °C
• PSA: 77.76000
• Density: 1.306 g/cm³
• LogP: 1.95230
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

MALTORYZINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCC(=O)C1=C(C=CC(=C1O)O)O
• Uses: A new toxic metabolite produced by a strain of Aspergillus oryzae var.

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