2,4-Octadienal

Base Information

• Chemical Name: 2,4-Octadienal
• CAS No.: 5577-44-6
• Molecular Formula: C8H12O
• Molecular Weight: 124.183
• European Community (EC) Number: 250-147-1,639-066-6
• UNII: PR4J26TQJD
• DSSTox Substance ID: DTXSID00885475
• Nikkaji Number: J127.243H,J2.494.320H
• Wikidata: Q27286719
• Metabolomics Workbench ID: 3432
• Mol file: 5577-44-6.mol

Synonyms:2,4-octadienal;2E,4E-octadienal;2E,6Z-octadienal

Chemical Property of 2,4-Octadienal

Chemical Property:

• Appearance/Colour: Yellow Solid
• Vapor Pressure: 0.364mmHg at 25°C
• Refractive Index: n20/D 1.526(lit.)
• Boiling Point: 198.2 °C at 760 mmHg
• Flash Point: 83 °C
• PSA: 17.07000
• Density: 0.855 g/cm³
• LogP: 2.09780
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 112

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4-Octadienal, predominantly trans,trans ≥95%, FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=CC=CC=O
• Isomeric SMILES: CCC/C=C/C=C/C=O