1-Ethyl-4-isobutylbenzene
CAS No.:
100319-40-2
M. Wt:
162.271
M. Fa:
C12H18
InChI Key:
FMHWAAZOTFVMKR-UHFFFAOYSA-N
Appearance:
Colourless Liquid
Names and Identifiers of 1-Ethyl-4-isobutylbenzene
CAS Number |
100319-40-2 |
|---|---|
MDL Number |
MFCD08275587 |
IUPAC Name |
1-ethyl-4-(2-methylpropyl)benzene |
InChI |
InChI=1S/C12H18/c1-4-11-5-7-12(8-6-11)9-10(2)3/h5-8,10H,4,9H2,1-3H3 |
InChIKey |
FMHWAAZOTFVMKR-UHFFFAOYSA-N |
Canonical SMILES |
CCC1=CC=C(C=C1)CC(C)C |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1-Ethyl-4-isobutylbenzene
Boiling Point |
211.0±0.0 °C at 760 mmHg |
|---|---|
Density |
0.9±0.1 g/cm3 |
Exact Mass |
162.140854 |
Flash Point |
80.8±7.1 °C |
H Bond Acceptors |
0 |
H Bond Donors |
0 |
Index of Refraction |
1.491 |
LogP |
5.08 |
Molecular Formula |
C12H18 |
Molecular Weight |
162.271 |
Storage condition |
Sealed in dry,Room Temperature |
Vapour Pressure |
0.3±0.2 mmHg at 25°C |
Safety Information of 1-Ethyl-4-isobutylbenzene
Applications of 1-Ethyl-4-isobutylbenzene
1-Ethyl-4-isobutylbenzene finds applications in various fields:
- Chemical Intermediates: It serves as an intermediate in the synthesis of more complex organic molecules.
- Solvents: Due to its hydrophobic characteristics, it may be used as a solvent in chemical processes.
- Pharmaceuticals: Its derivatives could potentially be explored for use in drug formulations due to their biological activity.
The compound's unique structure allows it to play a role in diverse chemical applications.
Interaction Studies of 1-Ethyl-4-isobutylbenzene
- Protein Binding: The compound may interact with proteins, affecting their function or stability.
- Metabolic Pathways: Similar alkyl-substituted aromatics often undergo metabolic transformations that could influence their pharmacokinetics and toxicity.
Further studies are necessary to characterize these interactions specifically for 1-ethyl-4-isobutylbenzene.
Biological Activity of 1-Ethyl-4-isobutylbenzene
While specific biological activity data for 1-ethyl-4-isobutylbenzene is limited, compounds of similar structure have been studied for their potential pharmacological effects. Generally, alkyl-substituted aromatic compounds can exhibit various biological activities, including:
- Antimicrobial Properties: Some derivatives show effectiveness against bacteria and fungi.
- Antioxidant Activity: Certain structural analogs have demonstrated the ability to scavenge free radicals.
- Cytotoxic Effects: Related compounds have been investigated for their potential in cancer therapy.
Further research would be necessary to elucidate any specific biological activities associated with 1-ethyl-4-isobutylbenzene.
Physical sample testing spectrum (NMR) of 1-Ethyl-4-isobutylbenzene
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