丙酸
TL;DR: 丙酸 (CAS 79-09-4) is a chemical compound with molecular formula C3H6O2 and molecular weight 74.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酸
propanoic acid
Also Known As: propionic acid, Propanoic acid, ethylformic acid, methylacetic acid, Carboxyethane
| Molecular Formula | C3H6O2 |
|---|---|
| Molecular Weight | 74.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 74.03678 |
| Heavy Atoms | 5 |
| Complexity | 40.0 |
| Melting Point | -21.5 °C |
| Boiling Point | 140.7 °C at 760 mmHg |
| Density | 0.995 at 20.0 °C - Less dense than water; will float |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 54.4 °C |
| Vapor Pressure | 2.9 mmHg at 20.0 °C ; 10 mmHg at 39.7 °C |
| Refractive Index | 1.3869 @ 20 °C |
| GHS Signal | Danger |
| H-Statements | H226, H314, H335 |
Chemical Identifiers
| CAS Number | 79-09-4 |
|---|---|
| SMILES | CCC(=O)O |
| InChIKey | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酸 (CAS 79-09-4), with molecular formula C3H6O2 and molecular weight 74.04 g/mol. IUPAC: propanoic acid.
Chemical Property Profile of 丙酸
Property Insights of 丙酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酸 has 1 hydrogen bond donor(s) and 2 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 丙酸?
The CAS number of 丙酸 is 79-09-4.
What is the molecular formula of 丙酸?
The molecular formula of 丙酸 is C3H6O2.
What is the molecular weight of 丙酸?
The molecular weight of 丙酸 is 74.04 g/mol.
Where can I buy 丙酸?
You can request a quote for 丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酸?
Yes, KEHONG BIO provides custom synthesis services for 丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.