Patulin

Base Information

• Chemical Name: Patulin
• CAS No.: 149-29-1
• Molecular Formula: C7H6 O4
• Molecular Weight: 154.13
• Hs Code.: 29419090
• European Community (EC) Number: 205-735-2
• NSC Number: 32951,8120
• UNII: 95X2BV4W8R
• DSSTox Substance ID: DTXSID2021101
• Nikkaji Number: J2.963G
• Wikipedia: Patulin
• Wikidata: Q414526
• Metabolomics Workbench ID: 46476
• ChEMBL ID: CHEMBL294018
• Mol file: 149-29-1.mol

Synonyms:Patulin

Chemical Property of Patulin

Chemical Property:

• Appearance/Colour: white Crystalline
• Vapor Pressure: 1.06E-12mmHg at 25°C
• Melting Point: 108-111 °C
• Refractive Index: 1.603
• Boiling Point: 513.7 °C at 760 mmHg
• PKA: 11.69±0.20(Predicted)
• Flash Point: 226.8 °C
• PSA: 55.76000
• Density: 1.52 g/cm³
• LogP: -0.29790
• Storage Temp.: −20°C
• Solubility.: ethyl acetate: soluble50mg/mL
• XLogP3: -1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 154.02660867
• Heavy Atom Count: 11
• Complexity: 264

Purity/Quality:

Patulin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): TXn
• Hazard Codes: T,Xn,C,F
• Statements: 25-38-48/20/22-40-22-34-11-36-20/21/22-67-36/38-20-63
• Safety Statements: 45-36/37-36/37/39-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Mycotoxins
• Canonical SMILES: C1C=C2C(=CC(=O)O2)C(O1)O
• Description: Spergillus and Penicillium species. Patulin is also an animal carcinogen, inhibits K1-uptake into erythrocytes, and inhibits various forms of Na1/K1-ATPase.
• Uses: Patulin (PAT), a mycotoxin produced by certain species of Penicillium, Aspergillus, and Byssochlamys, is mainly found in ripe apple and apple products. An inhibitor of protein prenylation