邻苯二甲酸二(2-丁氧基)乙酯
TL;DR: 邻苯二甲酸二(2-丁氧基)乙酯 (CAS 117-83-9) is a chemical compound with molecular formula C20H30O6 and molecular weight 366.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻苯二甲酸二(2-丁氧基)乙酯
bis(2-butoxyethyl) benzene-1,2-dicarboxylate
Also Known As: BIS(2-BUTOXYETHYL) PHTHALATE, Kronisol, Palatinol K, Kesscoflex BCP, Kesscoflex
| Molecular Formula | C20H30O6 |
|---|---|
| Molecular Weight | 366.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 366.20422 |
| Heavy Atoms | 26 |
| Complexity | 348.0 |
| Melting Point | FP: -55 °C |
| Boiling Point | 270 °C |
| Density | 1.06 at 20 °C |
| Solubility | Phthalate esters are soluble to various extents in many common organic solvents and oils, but have a relatively low solubility in water. /Phthalate esters/ |
| Flash Point | 208.3 °C; 208 °C (CLOSED CUP) |
| Vapor Pressure | 0.00217 [mmHg] |
| Refractive Index | Refractive index = 1.486 at 20 °C. |
Chemical Identifiers
| CAS Number | 117-83-9 |
|---|---|
| SMILES | CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC |
| InChIKey | CMCJNODIWQEOAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苯二甲酸二(2-丁氧基)乙酯 (CAS 117-83-9), with molecular formula C20H30O6 and molecular weight 366.20 g/mol. IUPAC: bis(2-butoxyethyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 邻苯二甲酸二(2-丁氧基)乙酯
Property Insights of 邻苯二甲酸二(2-丁氧基)乙酯
The XLogP value of 4.4 indicates that 邻苯二甲酸二(2-丁氧基)乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻苯二甲酸二(2-丁氧基)乙酯. Following Lipinski's Rule of Five, 邻苯二甲酸二(2-丁氧基)乙酯 has 0 hydrogen bond donor(s) and 6 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 邻苯二甲酸二(2-丁氧基)乙酯?
The CAS number of 邻苯二甲酸二(2-丁氧基)乙酯 is 117-83-9.
What is the molecular formula of 邻苯二甲酸二(2-丁氧基)乙酯?
The molecular formula of 邻苯二甲酸二(2-丁氧基)乙酯 is C20H30O6.
What is the molecular weight of 邻苯二甲酸二(2-丁氧基)乙酯?
The molecular weight of 邻苯二甲酸二(2-丁氧基)乙酯 is 366.20 g/mol.
Where can I buy 邻苯二甲酸二(2-丁氧基)乙酯?
You can request a quote for 邻苯二甲酸二(2-丁氧基)乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二甲酸二(2-丁氧基)乙酯?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二甲酸二(2-丁氧基)乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.