1,3-DIHYDROXY-5-PENTACOSYLBENZEN

Base Information

• Chemical Name: 1,3-DIHYDROXY-5-PENTACOSYLBENZEN
• CAS No.: 70110-61-1
• Molecular Formula: C31H56O2
• Molecular Weight: 460.78
• Hs Code.: 2907299090
• DSSTox Substance ID: DTXSID70220399
• Nikkaji Number: J1.576.444I
• Wikidata: Q72499677
• Metabolomics Workbench ID: 48220
• ChEMBL ID: CHEMBL1795559
• Mol file: 70110-61-1.mol

Synonyms:5-Pentacosylresorcinol;5-pentacosylbenzene-1,3-diol;

Chemical Property of 1,3-DIHYDROXY-5-PENTACOSYLBENZEN

Chemical Property:

• Vapor Pressure: 1.03E-13mmHg at 25°C
• Refractive Index: 1.497
• Boiling Point: 572.6 °C at 760 mmHg
• Flash Point: 225.1 °C
• PSA: 40.46000
• Density: 0.923 g/cm³
• LogP: 10.63250
• Storage Temp.: 2-8°C
• XLogP3: 14.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 24
• Exact Mass: 460.42803102
• Heavy Atom Count: 33
• Complexity: 373

Purity/Quality:

98%min ^*data from raw suppliers

5-Pentacosylresorcinol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O