(E)-4-oxohex-2-enal

Base Information

• Chemical Name: (E)-4-oxohex-2-enal
• CAS No.: 2492-43-5
• Molecular Formula: C6H8O2
• Molecular Weight: 112.12832
• Hs Code.: 2914400090
• UNII: 4MT6VG8ZKR
• DSSTox Substance ID: DTXSID701315637
• Nikkaji Number: J2.251.832A,J390.333H
• Wikidata: Q27146302
• Metabolomics Workbench ID: 3517
• Mol file: 2492-43-5.mol

Synonyms:4-oxo-(E)-2-hexenal

Chemical Property of (E)-4-oxohex-2-enal

Chemical Property:

• Vapor Pressure: 0.196mmHg at 25°C
• Refractive Index: 1.434
• Boiling Point: 210.1 °C at 760 mmHg
• Flash Point: 75.1 °C
• PSA: 34.14000
• Density: 0.969 g/cm³
• LogP: 0.72060
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 112.052429494
• Heavy Atom Count: 8
• Complexity: 114

Purity/Quality:

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

4-OXO-2-HEXENAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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