4-Ethylbenzaldehyde
TL;DR: 4-Ethylbenzaldehyde (CAS 4748-78-1) is a chemical compound with molecular formula C9H10O and molecular weight 134.07317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethylbenzaldehyde
Also Known As: 4-ETHYLBENZALDEHYDE, p-Ethylbenzaldehyde, Benzaldehyde, 4-ethyl-, 4-ethyl benzaldehyde, Ebal
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O |
| Molecular Weight | 134.07317 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.07317 Da |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
| Boiling Point | 220.00 to 222.00 °C. @ 760.00 mm Hg |
| Density | 0.980-1.000 |
| Refractive Index | 1.538-1.542 |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| SMILES | CCC1=CC=C(C=C1)C=O |
| InChIKey | QNGNSVIICDLXHT-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ethylbenzaldehyde
Property Insights of 4-Ethylbenzaldehyde
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethylbenzaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Ethylbenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethylbenzaldehyde has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Ethylbenzaldehyde?
The CAS number of 4-Ethylbenzaldehyde is 4748-78-1.
What is the molecular formula of 4-Ethylbenzaldehyde?
The molecular formula of 4-Ethylbenzaldehyde is C9H10O.
What is the molecular weight of 4-Ethylbenzaldehyde?
The molecular weight of 4-Ethylbenzaldehyde is 134.07317 g/mol.
Where can I buy 4-Ethylbenzaldehyde?
You can request a quote for 4-Ethylbenzaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethylbenzaldehyde?
Yes, CoreyChem provides custom synthesis services for 4-Ethylbenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.