2,2,5-Trimethylhex-4-enal
CAS No.:
1000-30-2
M. Wt:
140.223
M. Fa:
C9H16O
InChI Key:
TVJYZLLDEHOCJE-UHFFFAOYSA-N
Appearance:
Colorless liquid
Names and Identifiers of 2,2,5-Trimethylhex-4-enal
CAS Number |
1000-30-2 |
|---|---|
EC Number |
213-670-6 |
IUPAC Name |
2,2,5-trimethylhex-4-enal |
InChI |
InChI=1S/C9H16O/c1-8(2)5-6-9(3,4)7-10/h5,7H,6H2,1-4H3 |
InChIKey |
TVJYZLLDEHOCJE-UHFFFAOYSA-N |
Canonical SMILES |
CC(=CCC(C)(C)C=O)C |
Physical and chemical properties of 2,2,5-Trimethylhex-4-enal
Boiling Point |
183.3±9.0 °C at 760 mmHg |
|---|---|
Density |
0.8±0.1 g/cm3 |
Exact Mass |
140.120117 |
Flash Point |
57.5±7.8 °C |
Index of Refraction |
1.435 |
LogP |
2.89 |
Molecular Formula |
C9H16O |
Molecular Weight |
140.223 |
PSA |
17.07000 |
Vapour Pressure |
0.8±0.3 mmHg at 25°C |
Safety Information of 2,2,5-Trimethylhex-4-enal
Applications of 2,2,5-Trimethylhex-4-enal
2,2,5-trimethylhex-4-enal has several applications primarily in the fields of:
- Flavor and Fragrance Industry: Its pleasant odor makes it suitable for use in perfumes and flavoring agents.
- Chemical Synthesis: It serves as an intermediate in the synthesis of more complex organic molecules.
Understanding its properties allows chemists to utilize this compound effectively in various formulations.
Interaction Studies of 2,2,5-Trimethylhex-4-enal
While specific interaction studies focusing solely on 2,2,5-trimethylhex-4-enal are scarce, it is important to consider its interactions with other compounds:
- Reactivity with Alcohols: As noted earlier, it can form acetals when interacting with alcohols.
- Potential Biological Interactions: Given its aldehyde nature, it may interact with biological macromolecules (proteins and nucleic acids), affecting their function or stability.
Further research could elucidate more about its interactions and potential therapeutic applications.
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