丁酸甲酯
TL;DR: 丁酸甲酯 (CAS 623-42-7) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酸甲酯
methyl butanoate
Also Known As: Methyl butyrate, Methyl butanoate, Methyl n-butanoate, Butanoic acid, methyl ester, Methyl-n-butyrate
| Molecular Formula | C5H10O2 |
|---|---|
| Molecular Weight | 102.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 102.06808 |
| Heavy Atoms | 7 |
| Complexity | 59.0 |
| Melting Point | -95.0 °C |
| Boiling Point | 102.2 °C at 760 mmHg |
| Density | 0.8984 at 20.0 °C - Less dense than water; will float |
| Solubility | 10 to 50 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 13.9 °C |
| Vapor Pressure | 0.84 mmHg at 20.0 °C ; 40 mmHg at 29.6 °C; 60 mmHg at 37.4 °C |
| Refractive Index | 1.3878 @ 20 °C |
Chemical Identifiers
| CAS Number | 623-42-7 |
|---|---|
| SMILES | CCCC(=O)OC |
| InChIKey | UUIQMZJEGPQKFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁酸甲酯 (CAS 623-42-7), with molecular formula C5H10O2 and molecular weight 102.07 g/mol. IUPAC: methyl butanoate.
Chemical Property Profile of 丁酸甲酯
Property Insights of 丁酸甲酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 丁酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酸甲酯 has 0 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 丁酸甲酯?
The CAS number of 丁酸甲酯 is 623-42-7.
What is the molecular formula of 丁酸甲酯?
The molecular formula of 丁酸甲酯 is C5H10O2.
What is the molecular weight of 丁酸甲酯?
The molecular weight of 丁酸甲酯 is 102.07 g/mol.
Where can I buy 丁酸甲酯?
You can request a quote for 丁酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 丁酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.