1,3-Pentadiene

Base Information

• Chemical Name: 1,3-Pentadiene
• CAS No.: 41050-31-1
• Molecular Formula: C5 H12
• Molecular Weight: 0
• European Community (EC) Number: 207-995-2,217-909-5
• ICSC Number: 1722
• NSC Number: 73901
• UN Number: 1993,3295,1010
• UNII: 00OA1GPF8R
• DSSTox Substance ID: DTXSID50858710
• Nikkaji Number: J43.494I,J6.219G
• Wikipedia: Piperylene
• Wikidata: Q126292
• Metabolomics Workbench ID: 66853
• Mol file: 41050-31-1.mol

Synonyms:1,3-pentadiene;1,3-pentadiene, (Z)-isomer;piperylene

Chemical Property of 1,3-Pentadiene

Chemical Property:

• Boiling Point: 44.1°Cat760mmHg
• Flash Point: °C
• Density: 0.682g/cm³
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 68.062600255
• Heavy Atom Count: 5
• Complexity: 42
• Transport DOT Label: Flammable Liquid

Purity/Quality:

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MSDS Files:

Useful:

• Chemical Classes: UVCB,Plastics & Rubber -> Other Monomers
• Canonical SMILES: CC=CC=C
• Isomeric SMILES: C/C=C/C=C
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The vapour is irritating to the eyes and skin. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis. The effects may be delayed.

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