3-(Pentadec-10-enyl)catechol

Base Information

• Chemical Name: 3-(Pentadec-10-enyl)catechol
• CAS No.: 83532-37-0
• Molecular Formula: C21H34 O2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID701267377
• Nikkaji Number: J865.870F
• Wikidata: Q27124327
• Metabolomics Workbench ID: 58870

Synonyms:3-(pentadec-10-enyl)catechol;litreol

Chemical Property of 3-(Pentadec-10-enyl)catechol

Chemical Property:

• Vapor Pressure: 1.55E-08mmHg at 25°C
• Boiling Point: 445.1°C at 760 mmHg
• Flash Point: 192.4°C
• PSA: 40.46000
• Density: 0.973g/cm³
• LogP: 6.50750
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 318.255880323
• Heavy Atom Count: 23
• Complexity: 288

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC=CCCCCCCCCCC1=C(C(=CC=C1)O)O
• Isomeric SMILES: CCCC/C=C\CCCCCCCCCC1=C(C(=CC=C1)O)O

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