Benzenepropanal
TL;DR: Benzenepropanal (CAS 104-53-0) 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.
3-phenylpropanal
Also Known As: 3-Phenylpropanal, Benzenepropanal, 3-Phenylpropionaldehyde, HYDROCINNAMALDEHYDE, Dihydrocinnamaldehyde
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O |
| Molecular Weight | 134.07317 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.07317 Da |
| Heavy Atoms | 10 |
| Complexity | 92.0 |
| Melting Point | 47 °C |
| Boiling Point | 97.00 to 98.00 °C. @ 12.00 mm Hg |
| Density | 1.008-1.018 |
| Refractive Index | 1.518-1.528 |
| Solubility | insoluble in water; soluble in oils |
| SMILES | C1=CC=C(C=C1)CCC=O |
| InChIKey | YGCZTXZTJXYWCO-UHFFFAOYSA-N |
Product Description
Applications: Benzenepropanal is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Benzenepropanal is a heterocyclic building block identified by CAS number 104-53-0 and the molecular formula C9H10O and a molecular weight of 134.07 g/mol. Physically, the compound has a density of 1.008-1.018 g/cm³, a solubility: insoluble in water; soluble in oils. Synonyms include 3-Phenylpropanal and Benzenepropanal.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzenepropanal
Property Insights of Benzenepropanal
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenepropanal. With a topological polar surface area (TPSA) of 17.1 Ų, Benzenepropanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanal 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 Benzenepropanal?
The CAS number of Benzenepropanal is 104-53-0.
What is the molecular formula of Benzenepropanal?
The molecular formula of Benzenepropanal is C9H10O.
What is the molecular weight of Benzenepropanal?
The molecular weight of Benzenepropanal is 134.07317 g/mol.
What are the applications of Benzenepropanal?
Benzenepropanal is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Benzenepropanal?
You can request a quote for Benzenepropanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenepropanal?
Yes, CoreyChem provides custom synthesis services for Benzenepropanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.