2-methyl-5-(8Z,11Z)-8,11,14-pentadecatrienyl-1,3-benzenediol

Base Information

• Chemical Name: 2-methyl-5-(8Z,11Z)-8,11,14-pentadecatrienyl-1,3-benzenediol
• CAS No.: 50423-15-9
• Molecular Formula: C22H32O2
• Molecular Weight: 328.4883
• ChEMBL ID: CHEMBL470345
• DSSTox Substance ID: DTXSID001176549

Synonyms:Methylcardol triene;2-methyl-5-(8Z,11Z)-8,11,14-pentadecatrienyl-1,3-benzenediol;CHEMBL470345;SCHEMBL9475716;DTXSID001176549;2-methyl-5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol;1,3-Benzenediol, 2-methyl-5-(8Z,11Z)-8,11,14-pentadecatrienyl-

Chemical Property of 2-methyl-5-(8Z,11Z)-8,11,14-pentadecatrienyl-1,3-benzenediol

Chemical Property:

• Vapor Pressure: 4.05E-10mmHg at 25°C
• Boiling Point: 487.3°Cat760mmHg
• Flash Point: 214°C
• PSA: 40.46000
• Density: 0.99g/cm³
• LogP: 6.53880
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 328.240230259
• Heavy Atom Count: 24
• Complexity: 360

Purity/Quality:

≥95% ^*data from raw suppliers

Methylcardol triene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1O)CCCCCCCC=CCC=CCC=C)O
• Isomeric SMILES: CC1=C(C=C(C=C1O)CCCCCCC/C=C\C/C=C\CC=C)O

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