丙醛
TL;DR: 丙醛 (CAS 123-38-6) is a chemical compound with molecular formula C3H6O and molecular weight 58.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙醛
propanal
Also Known As: Propionaldehyde, propanal, Propanaldehyde, Propylaldehyde, Propaldehyde
| Molecular Formula | C3H6O |
|---|---|
| Molecular Weight | 58.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 58.041866 |
| Heavy Atoms | 4 |
| Complexity | 17.0 |
| Melting Point | -81.1 °C |
| Boiling Point | 48.9 °C at 760 mmHg |
| Density | 0.805 at 20.0 °C - Less dense than water; will float |
| Solubility | 50 to 100 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | -9.4 °C |
| Vapor Pressure | 235 mmHg at 20.0 °C ; 687 mmHg at 45.0 °C |
| Refractive Index | 1.36460 at 19 °C; 1.3695 at 16.6 °C/580 nm |
| GHS Signal | Danger |
| H-Statements | H225, H302 + H332, H315, H318, H335 |
Chemical Identifiers
| CAS Number | 123-38-6 |
|---|---|
| SMILES | CCC=O |
| InChIKey | NBBJYMSMWIIQGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙醛 (CAS 123-38-6), with molecular formula C3H6O and molecular weight 58.04 g/mol. IUPAC: propanal.
Chemical Property Profile of 丙醛
Property Insights of 丙醛
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙醛. With a topological polar surface area (TPSA) of 17.1 Ų, 丙醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙醛 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 丙醛?
The CAS number of 丙醛 is 123-38-6.
What is the molecular formula of 丙醛?
The molecular formula of 丙醛 is C3H6O.
What is the molecular weight of 丙醛?
The molecular weight of 丙醛 is 58.04 g/mol.
Where can I buy 丙醛?
You can request a quote for 丙醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙醛?
Yes, KEHONG BIO provides custom synthesis services for 丙醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.