5-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol

Base Information

• Chemical Name: 5-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol
• CAS No.: 79473-25-9
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.484
• ChEMBL ID: CHEMBL459604
• DSSTox Substance ID: DTXSID70872872
• Metabolomics Workbench ID: 48238
• Wikidata: Q76421883

Synonyms:Cardol diene;Cardoldiene;5-{8(Z),11(Z)-pentadecadienyl}resorcinol;5-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol;CHEMBL459604;5-[(8Z,11Z)-pentadeca-8,11-dienyl]benzene-1,3-diol;5-(8,11-Pentadecadienyl)-1,3-benzenediol;5-(8Z,11Z)-8,11-PENTADECADIENYLRESORCINOL;5-((8Z,11Z)-pentadeca-8,11-dienyl)benzene-1,3-diol;5-((8Z,11Z)-pentadeca-8,11-dien-1-yl)benzene-1,3-diol;SCHEMBL9475761;DTXSID70872872;CHEBI:183673;BDBM50292428;LMPK15030021;AKOS030555484;HY-118495;CS-0066136;5-(pentadeca-8,11-dienyl)benzene-1,3-diol;5-((8Z,11Z)-pentadeca-8,11-dien-1-yl)resorcinol

Chemical Property of 5-[(8Z,11Z)-pentadeca-8,11-dien-1-yl]benzene-1,3-diol

Chemical Property:

• Vapor Pressure: 1.49E-09mmHg at 25°C
• Boiling Point: 472.6°Cat760mmHg
• PKA: 9.55±0.10(Predicted)
• Flash Point: 208.4°C
• PSA: 40.46000
• Density: 0.983g/cm³
• LogP: 6.28350
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 316.240230259
• Heavy Atom Count: 23
• Complexity: 312

Purity/Quality:

≥98% ^*data from raw suppliers

Cardol diene ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=CCC=CCCCCCCCC1=CC(=CC(=C1)O)O
• Isomeric SMILES: CCC/C=C\C/C=C\CCCCCCCC1=CC(=CC(=C1)O)O
• Description: Cardol diene is a phenol found in cashew nut shell liquid. It is schistosomicidal, killing 50, 100, 100, and 100% of S. mansoni worms after 24 hours when used at concentrations of 25, 50, 100, or 200 μM, respectively. Cardol diene has an LC50 value of 32.2 μM after 24 and 48 hours against S. mansoni worms. It has been used as a starting material for the synthesis of bis-benzoxazines.

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