Alismol

Base Information

• Chemical Name: Alismol
• CAS No.: 87827-55-2
• Molecular Formula: C15H24 O
• Molecular Weight: 220.355
• Metabolomics Workbench ID: 168037,169751
• Nikkaji Number: J393.117J
• Wikidata: Q104946226
• Mol file: 87827-55-2.mol

Synonyms:alismol

Chemical Property of Alismol

Chemical Property:

• Vapor Pressure: 3.38E-05mmHg at 25°C
• Boiling Point: 316.8°C at 760 mmHg
• PKA: 14.93±0.40(Predicted)
• Flash Point: 131.2°C
• PSA: 20.23000
• Density: 0.97g/cm³
• LogP: 3.69600
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 220.182715385
• Heavy Atom Count: 16
• Complexity: 326

Purity/Quality:

≥95% ^*data from raw suppliers

Alismol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC2C(CCC2(C)O)C(=C)CC1
• Isomeric SMILES: CC(C)C1=C[C@@H]2[C@H](CC[C@@]2(C)O)C(=C)CC1