Phenylacetaldehyde
TL;DR: Phenylacetaldehyde (CAS 122-78-1) is a chemical compound with molecular formula C8H8O and molecular weight 120.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylacetaldehyde
Also Known As: phenylacetaldehyde, 2-phenylacetaldehyde, Benzeneacetaldehyde, Hyacinthin, Phenylethanal
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O |
| Molecular Weight | 120.05752 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.05752 Da |
| Heavy Atoms | 9 |
| Complexity | 82.0 |
| Purity | ≥95% |
| Melting Point | 33.5 |
| Boiling Point | 195 |
| Density | 1.023-1.045 |
| Vapor Pressure | 0.39 [mmHg] |
| Refractive Index | 1.524-1.545 |
| Solubility | Slightly soluble in water; insoluble in water; soluble in oils, propylene glycol |
| SMILES | C1=CC=C(C=C1)CC=O |
| InChIKey | DTUQWGWMVIHBKE-UHFFFAOYSA-N |
Product Description
Applications: Phenylacetaldehyde is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Typical specifications: commercial lots are supplied at ≥95%. CoreyChem supplies Phenylacetaldehyde (CAS 122-78-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Phenylacetaldehyde (CAS 122-78-1) has the molecular formula C8H8O and a molecular weight of 120.06 g/mol. Reported properties include a density of 1.023-1.045 g/cm³, a solubility: Slightly soluble in water; insoluble in water; soluble in oils, propylene glycol. It is also known as phenylacetaldehyde and 2-phenylacetaldehyde.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
H302, H314, H317, H412
Chemical Property Profile of Phenylacetaldehyde
Property Insights of Phenylacetaldehyde
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylacetaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, Phenylacetaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylacetaldehyde 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 Phenylacetaldehyde?
The CAS number of Phenylacetaldehyde is 122-78-1.
What is the molecular formula of Phenylacetaldehyde?
The molecular formula of Phenylacetaldehyde is C8H8O.
What is the molecular weight of Phenylacetaldehyde?
The molecular weight of Phenylacetaldehyde is 120.05752 g/mol.
What are the applications of Phenylacetaldehyde?
Phenylacetaldehyde is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Typical specifications: commercial lots are supplied at...
Where can I buy Phenylacetaldehyde?
You can request a quote for Phenylacetaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenylacetaldehyde?
Yes, CoreyChem provides custom synthesis services for Phenylacetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.