磷酸三(2-乙基己基)酯
TL;DR: 磷酸三(2-乙基己基)酯 (CAS 78-42-2) is a chemical compound with molecular formula C24H51O4P and molecular weight 434.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸三(2-乙基己基)酯
tris(2-ethylhexyl) phosphate
Also Known As: Tris(2-ethylhexyl) phosphate, Disflamoll TOF, Tris(2-ethylhexyl)phosphate, Flexol TOF, Kronitex TOF
| Molecular Formula | C24H51O4P |
|---|---|
| Molecular Weight | 434.35 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 434.3525 |
| Heavy Atoms | 29 |
| Complexity | 345.0 |
| Melting Point | -70.0 °C |
| Boiling Point | 374 to 232.8 °C at 760 mmHg (decomposes) |
| Density | 0.9262 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | 151.7 °C |
| Vapor Pressure | 1.9 mmHg at 200.0 °C |
Chemical Identifiers
| CAS Number | 78-42-2 |
|---|---|
| SMILES | CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC |
| InChIKey | GTVWRXDRKAHEAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸三(2-乙基己基)酯 (CAS 78-42-2), with molecular formula C24H51O4P and molecular weight 434.35 g/mol. IUPAC: tris(2-ethylhexyl) phosphate.
Chemical Property Profile of 磷酸三(2-乙基己基)酯
Property Insights of 磷酸三(2-乙基己基)酯
The XLogP value of 8.9 indicates that 磷酸三(2-乙基己基)酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 磷酸三(2-乙基己基)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 磷酸三(2-乙基己基)酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 磷酸三(2-乙基己基)酯?
The CAS number of 磷酸三(2-乙基己基)酯 is 78-42-2.
What is the molecular formula of 磷酸三(2-乙基己基)酯?
The molecular formula of 磷酸三(2-乙基己基)酯 is C24H51O4P.
What is the molecular weight of 磷酸三(2-乙基己基)酯?
The molecular weight of 磷酸三(2-乙基己基)酯 is 434.35 g/mol.
Where can I buy 磷酸三(2-乙基己基)酯?
You can request a quote for 磷酸三(2-乙基己基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸三(2-乙基己基)酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸三(2-乙基己基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.