乙酰乙酸乙酯
TL;DR: 乙酰乙酸乙酯 (CAS 141-97-9) is a chemical compound with molecular formula C6H10O3 and molecular weight 130.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰乙酸乙酯
ethyl 3-oxobutanoate
Also Known As: ethyl acetoacetate, ethyl 3-oxobutanoate, diacetic ether, ethyl acetylacetate, ethyl 3-oxobutyrate
| Molecular Formula | C6H10O3 |
|---|---|
| Molecular Weight | 130.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.06299 |
| Heavy Atoms | 9 |
| Complexity | 117.0 |
| Melting Point | less than -80.0 °C |
| Boiling Point | 183.9 °C at 760 mmHg |
| Density | 1.028 at 20.0 °C |
| Solubility | SOL IN ABOUT 35 PARTS WATER |
| Flash Point | 57.2 °C |
| Vapor Pressure | 0.78 [mmHg] |
| Refractive Index | MAX ABSORPTION (ALCOHOL): 248 NM (LOG E= 3.2); 1.4194 AT 20 °C; SADTLER REFERENCE NUMBER: 101 (IR, PRISM) |
Chemical Identifiers
| CAS Number | 141-97-9 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C |
| InChIKey | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酰乙酸乙酯 (CAS 141-97-9), with molecular formula C6H10O3 and molecular weight 130.06 g/mol. IUPAC: ethyl 3-oxobutanoate.
Chemical Property Profile of 乙酰乙酸乙酯
Property Insights of 乙酰乙酸乙酯
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰乙酸乙酯. With a topological polar surface area (TPSA) of 43.4 Ų, 乙酰乙酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酰乙酸乙酯 has 0 hydrogen bond donor(s) and 3 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 乙酰乙酸乙酯?
The CAS number of 乙酰乙酸乙酯 is 141-97-9.
What is the molecular formula of 乙酰乙酸乙酯?
The molecular formula of 乙酰乙酸乙酯 is C6H10O3.
What is the molecular weight of 乙酰乙酸乙酯?
The molecular weight of 乙酰乙酸乙酯 is 130.06 g/mol.
Where can I buy 乙酰乙酸乙酯?
You can request a quote for 乙酰乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酰乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.