4-Ipomeanol

Base Information

• Chemical Name: 4-Ipomeanol
• CAS No.: 32954-58-8
• Molecular Formula: C₉H₁₂O₃
• Molecular Weight: 168.192
• Hs Code.: 2932190090
• NSC Number: 349438
• UNII: URT1FLO407
• DSSTox Substance ID: DTXSID10866492
• Nikkaji Number: J53.729B
• Wikipedia: 4-Ipomeanol
• Wikidata: Q27291230
• NCI Thesaurus Code: C976
• Metabolomics Workbench ID: 44418
• ChEMBL ID: CHEMBL1743358
• Mol file: 32954-58-8.mol

Synonyms:(+-)-4-ipomeanol;(+-)-isomer of 4-ipomeanol;1-(3-furyl)-4-hydroxypentanone;4-ipomeanol

Chemical Property of 4-Ipomeanol

Chemical Property:

• Vapor Pressure: 0.000724mmHg at 25°C
• Refractive Index: 1.4371 (estimate)
• Boiling Point: 294.7°Cat760mmHg
• Flash Point: 132°C
• PSA: 50.44000
• Density: 1.112g/cm³
• LogP: 1.62330
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99%, ^*data from raw suppliers

4-Ipomeanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Plant Toxins
• Canonical SMILES: CC(CCC(=O)C1=COC=C1)O
• Uses: 4-Ipomeanol is a toxic 3-substituted furan found in mold-damaged sweet potatoes that can cause pulmonary toxicity in cattle and rodents. 4-Ipomeanol can induce hepatotoxicity in humans and is a pneumotoxin that is bioactivated to a reactive intermediate that binds to DNA and other cellular macromolecules.