Ichthyothereol

Base Information

• Chemical Name: Ichthyothereol
• CAS No.: 20110-36-5
• Molecular Formula: C14H14O2
• Molecular Weight: 214.2598
• UNII: 6VLN4U8PSW
• DSSTox Substance ID: DTXSID101156869
• Nikkaji Number: J17.225A,J1.477.785G
• Wikipedia: Ichthyothereol
• Wikidata: Q15133281
• Metabolomics Workbench ID: 199818

Synonyms:ichthyothereol;ichthyothereol acetate;ichthyothereol acetate, (2alpha(E),3beta)-isomer;ichthyothereol acetate, (2S-(2alpha(E),3beta))-isomer;ichthyothereol, (2alpha(E),3beta)-isomer;ichthyothereol, (2S-(2alpha(E),3beta))-isomer

Chemical Property of Ichthyothereol

Chemical Property:

• Vapor Pressure: 4.31E-06mmHg at 25°C
• Boiling Point: 344.1°Cat760mmHg
• Flash Point: 148.4°C
• Density: 1.194g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.099379685
• Heavy Atom Count: 16
• Complexity: 446

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC#CC#CC#CC=CC1C(CCCO1)O
• Isomeric SMILES: CC#CC#CC#C/C=C/[C@H]1[C@@H](CCCO1)O

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