3-Methyl-Pentanal
[CAS# 15877-57-3]

Identification

• Name: 3-Methyl-Pentanal
• Synonyms: 3-Methylvaleraldehyde; Nsc102764; Pentanal, 3-Methyl-
• Molecular Formula: C₆H₁₂O
• Molecular Weight: 100.16
• CAS Registry Number: 15877-57-3
• EINECS: 240-014-6
• SMILES: C(C(CC)C)C=O
• InChI: 1S/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3
• InChIKey: YJWJGLQYQJGEEP-UHFFFAOYSA-N

Properties

• Density: 0.8g/cm³ (Cal.)
• Boiling point: 122.999°C at 760 mmHg (Cal.)
• Flash point: 17.751°C (Cal.)

References

• (1): Arno Behr, Sebastian Reyer and Nils Tenhumberg. Selective hydroformylation-hydrogenation tandem reaction of isoprene to 3-methylpentanal, Dalton Trans., 2011, 40, 11742.