Isomagnolone

Base Information

• Chemical Name: Isomagnolone
• CAS No.: 155709-41-4
• Molecular Formula: C18H18O3
• Molecular Weight: 282.3
• DSSTox Substance ID: DTXSID601186467
• Wikidata: Q105157854
• Mol file: 155709-41-4.mol

Synonyms:Isomagnolone;155709-41-4;Isomaglone;1-[4-(2-hydroxy-5-prop-2-enylphenoxy)phenyl]propan-1-one;1-(4-(5-Allyl-2-hydroxyphenoxy)phenyl)propan-1-one;1-Propanone, 1-[4-[2-hydroxy-5-(2-propenyl)phenoxy]phenyl]- (9CI);1-[4-[2-Hydroxy-5-(2-propen-1-yl)phenoxy]phenyl]-1-propanone;DTXSID601186467;HY-N3472;AKOS032948168;FS-10429;CS-0024328

Chemical Property of Isomagnolone

Chemical Property:

• Boiling Point: 414.4±45.0 °C(Predicted)
• PKA: 9.22±0.43(Predicted)
• PSA: 46.53000
• Density: 1.125±0.06 g/cm3(Predicted)
• LogP: 4.50570
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 282.125594432
• Heavy Atom Count: 21
• Complexity: 344

Purity/Quality:

≥98% ^*data from raw suppliers

Isomagnolone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC=C(C=C1)OC2=C(C=CC(=C2)CC=C)O