4,6-Dihydroxy-8-methyl-4,6,10-triethyltetradeca-2,7,11-trienoic acid

Base Information

• Chemical Name: 4,6-Dihydroxy-8-methyl-4,6,10-triethyltetradeca-2,7,11-trienoic acid
• CAS No.: 152821-48-2
• Molecular Formula: C21H36 O4
• Molecular Weight: 352.51
• Metabolomics Workbench ID: 172849
• ChEMBL ID: CHEMBL464589
• Mol file: 152821-48-2.mol

Synonyms:4,6-DHMTE-TDTA;4,6-dihydroxy-8-methyl-4,6,10-triethyltetradeca-2,7,11-trienoic acid

Chemical Property of 4,6-Dihydroxy-8-methyl-4,6,10-triethyltetradeca-2,7,11-trienoic acid

Chemical Property:

• Vapor Pressure: 7.69E-13mmHg at 25°C
• Boiling Point: 516.8°Cat760mmHg
• Flash Point: 280.4°C
• PSA: 77.76000
• Density: 1.019g/cm³
• LogP: 4.62830
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 352.26135963
• Heavy Atom Count: 25
• Complexity: 492

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CC(CC)CC(=CC(CC)(CC(CC)(C=CC(=O)O)O)O)C
• Isomeric SMILES: CC/C=C/C(CC)C/C(=C/C(CC)(CC(CC)(/C=C/C(=O)O)O)O)/C