trans-2-Methyl-2-Butenal
[CAS# 497-03-0]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Aldehyde fragrance >> Nonenal
• Name: trans-2-Methyl-2-Butenal
• Synonyms: 2-Methylbut-2-Enal; Tiglinaldehyde; Trans-2,3-Dimethylacrolein
• Molecular Formula: C₅H₈O
• Molecular Weight: 84.12
• CAS Registry Number: 497-03-0
• EINECS: 207-833-0
• FEMA: 3407
• SMILES: C\C(=C/C)C=O
• InChI: 1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+
• InChIKey: ACWQBUSCFPJUPN-HWKANZROSA-N

Properties

• Density: 0.8±0.1g/cm³ (Cal.)
• Boiling point: 117-119°C (Expl.)
• Flash point: 18°C (Expl.)
• Refractive index: 1.448 (Expl.)

Safety Data

• Safety Code: S26;S37;S60
• Risk Code: R11;R36/37/38
• Hazard Symbol: X;F
• Transport Information: UN1989
• Safety Description: DANGER: FLAMMABLE, irritates skin, eyes, lungs

References

• (1): Kei Sato, Björn KlotzPresent address: Cognis Deutschland GmbH & Co KG, Henkel-strasse 67, D-40551 Düsseldorf, Germany., Tetsuya Taketsugu and Toshiyuki Takayanagi. Kinetic measurements for the reactions of ozone with crotonaldehyde and its methyl derivatives and calculations of transition-state theory, Phys. Chem. Chem. Phys., 2004, 6, 3969.