2-Isopropyl-5-Oxohexanal
[CAS# 15303-46-5]

Identification

• Name: 2-Isopropyl-5-Oxohexanal
• Synonyms: hexanal, 2-isopropyl-5-oxo-; InChI=1/C9H16O2/c1-7(2)9(6-10)5-4-8(3)11/h6-7,9H,4-5H2,1-3H3
• Molecular Formula: C₉H₁₆O₂
• Molecular Weight: 156.22
• CAS Registry Number: 15303-46-5
• SMILES: CC(C)C(CCC(=O)C)C=O
• InChI: 1S/C9H16O2/c1-7(2)9(6-10)5-4-8(3)11/h6-7,9H,4-5H2,1-3H3
• InChIKey: JUZXYQBZHRMZNQ-UHFFFAOYSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 236.0±23.0°C at 760 mmHg (Cal.)
• Flash point: 86.1±19.6°C (Cal.)
• Refractive index: 1.423 (Cal.)

References

• (1): Hisahiro Hagiwara, Nao Komatsubara, Hiroki Ono, Tomoyuki Okabe, Takashi Hoshi, Toshio Suzuki, Masayoshi Ando and Michiharu Kato. Diethylamino(trimethyl)silane-mediated direct 1,4-addition of naked aldehydes to electron-deficient olefins, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 316.