乙酸-2-乙基己酯
TL;DR: 乙酸-2-乙基己酯 (CAS 103-09-3) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酸-2-乙基己酯
2-ethylhexyl acetate
Also Known As: 2-ETHYLHEXYL ACETATE, Octyl acetate, ethylhexyl acetate, 2-Ethylhexyl ethanoate, 2-Ethyl-1-hexanol acetate
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 121.0 |
| Melting Point | -80 °C |
| Boiling Point | 192.2 °C at 760 mmHg |
| Density | 0.873 at 20.0 °C - Less dense than water; will float |
| Solubility | VERY SLIGHTLY SOL IN WATER; MISCIBLE WITH ALCOHOL, OILS, & OTHER ORG SOLVENTS |
| Flash Point | 71.1 °C |
| Vapor Pressure | 0.23 [mmHg] |
| Refractive Index | 1.4204 AT 20 DEG/C |
Chemical Identifiers
| CAS Number | 103-09-3 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C |
| InChIKey | WOYWLLHHWAMFCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酸-2-乙基己酯 (CAS 103-09-3), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 2-ethylhexyl acetate.
Chemical Property Profile of 乙酸-2-乙基己酯
Property Insights of 乙酸-2-乙基己酯
The XLogP value of 3.2 indicates that 乙酸-2-乙基己酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 乙酸-2-乙基己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酸-2-乙基己酯 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 乙酸-2-乙基己酯?
The CAS number of 乙酸-2-乙基己酯 is 103-09-3.
What is the molecular formula of 乙酸-2-乙基己酯?
The molecular formula of 乙酸-2-乙基己酯 is C10H20O2.
What is the molecular weight of 乙酸-2-乙基己酯?
The molecular weight of 乙酸-2-乙基己酯 is 172.15 g/mol.
Where can I buy 乙酸-2-乙基己酯?
You can request a quote for 乙酸-2-乙基己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酸-2-乙基己酯?
Yes, KEHONG BIO provides custom synthesis services for 乙酸-2-乙基己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.