Octadecyl 4-formylbenzoate

Base Information

• Chemical Name: Octadecyl 4-formylbenzoate
• CAS No.: 151029-29-7
• Molecular Formula: C26H42O3
• Molecular Weight: 402.61
• DSSTox Substance ID: DTXSID00394057
• Nikkaji Number: J569.886C
• Wikidata: Q82193224
• Mol file: 151029-29-7.mol

Synonyms:Octadecyl 4-formylbenzoate;Hydrogen sulfite ionophore I;151029-29-7;Benzoic acid, 4-formyl-, octadecyl ester;SCHEMBL7721712;DTXSID00394057;ETH-5444;Hydrogen sulfite ionophore I, Selectophore(TM);J-008771

Chemical Property of Octadecyl 4-formylbenzoate

Chemical Property:

• Vapor Pressure: 1.37E-10mmHg at 25°C
• Boiling Point: 511.8°C at 760 mmHg
• Flash Point: 215.7°C
• PSA: 43.37000
• Density: 0.959g/cm³
• LogP: 7.91740
• XLogP3: 10.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 20
• Exact Mass: 402.31339520
• Heavy Atom Count: 29
• Complexity: 385

Purity/Quality:

97% ^*data from raw suppliers

Hydrogen sulfite ionophore I Selectophore ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C=O

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