苯乙醛
TL;DR: 苯乙醛 (CAS 122-78-1) is a chemical compound with molecular formula C8H8O and molecular weight 120.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯乙醛
2-phenylacetaldehyde
Also Known As: phenylacetaldehyde, 2-phenylacetaldehyde, Benzeneacetaldehyde, Hyacinthin, Phenylethanal
| Molecular Formula | C8H8O |
|---|---|
| Molecular Weight | 120.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 120.05752 |
| Heavy Atoms | 9 |
| Complexity | 82.0 |
| Melting Point | 33.5 |
| Boiling Point | 195 |
| Density | 1.023-1.045 |
| Solubility | Slightly soluble in water; insoluble in water; soluble in oils, propylene glycol |
| Vapor Pressure | 0.39 [mmHg] |
| Refractive Index | 1.524-1.545 |
| GHS Signal | Danger |
| H-Statements | H302, H314, H317, H412 |
Chemical Identifiers
| CAS Number | 122-78-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC=O |
| InChIKey | DTUQWGWMVIHBKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯乙醛 (CAS 122-78-1), with molecular formula C8H8O and molecular weight 120.06 g/mol. IUPAC: 2-phenylacetaldehyde.
Chemical Property Profile of 苯乙醛
Property Insights of 苯乙醛
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯乙醛. With a topological polar surface area (TPSA) of 17.1 Ų, 苯乙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯乙醛 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
Frequently Asked Questions
What is the CAS number of 苯乙醛?
The CAS number of 苯乙醛 is 122-78-1.
What is the molecular formula of 苯乙醛?
The molecular formula of 苯乙醛 is C8H8O.
What is the molecular weight of 苯乙醛?
The molecular weight of 苯乙醛 is 120.06 g/mol.
Where can I buy 苯乙醛?
You can request a quote for 苯乙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙醛?
Yes, KEHONG BIO provides custom synthesis services for 苯乙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.