Alternariol monomethyl ether

Base Information

• Chemical Name: Alternariol monomethyl ether
• CAS No.: 26894-49-5
• Molecular Formula: C15H12O5
• Molecular Weight: 272.25
• Hs Code.: 29329990
• European Community (EC) Number: 636-657-0,694-486-7
• NSC Number: 638262
• UNII: Y79STA800H
• DSSTox Substance ID: DTXSID30178004
• Nikkaji Number: J597.088A
• Wikidata: Q27294342
• Metabolomics Workbench ID: 118914
• ChEMBL ID: CHEMBL483526
• Mol file: 26894-49-5.mol

Synonyms:alternariol monomethyl ether;alternariol-9-methyl ether

Chemical Property of Alternariol monomethyl ether

Chemical Property:

• Boiling Point: 559.169 °C at 760 mmHg
• Flash Point: 217.389 °C
• PSA: 79.90000
• Density: 1.427 g/cm³
• LogP: 2.67440
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 272.06847348
• Heavy Atom Count: 20
• Complexity: 385

Purity/Quality:

99% ^*data from raw suppliers

Alternariol Monomethyl Ether ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 61-26/27/28
• Safety Statements: 53-22-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O
• Uses: An alternaria mycotoxin and genotoxin, found in common edible crops. It inhibits the activity of various DNA-topoisomerases, increasing he rate of DNA strand breaks.