对苯二甲酸二(2-乙基己基)酯
TL;DR: 对苯二甲酸二(2-乙基己基)酯 (CAS 6422-86-2) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对苯二甲酸二(2-乙基己基)酯
bis(2-ethylhexyl) benzene-1,4-dicarboxylate
Also Known As: Dioctyl terephthalate, BIS(2-ETHYLHEXYL) TEREPHTHALATE, Kodaflex DOTP, dioctyl terepthalate, Palatinol DOTP
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 386.0 |
| Melting Point | -48 °C |
| Boiling Point | 383 °C |
| Density | 0.9825 at 20/20 °C |
| Solubility | In water, 4.0 mg/L at 20 °C |
| Flash Point | 238 °C or 237.8 °C (open cup) |
| Vapor Pressure | 0.0000214 [mmHg] |
| Refractive Index | = 1.4867 at 20 °C |
Chemical Identifiers
| CAS Number | 6422-86-2 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC |
| InChIKey | RWPICVVBGZBXNA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对苯二甲酸二(2-乙基己基)酯 (CAS 6422-86-2), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: bis(2-ethylhexyl) benzene-1,4-dicarboxylate.
Chemical Property Profile of 对苯二甲酸二(2-乙基己基)酯
Property Insights of 对苯二甲酸二(2-乙基己基)酯
The XLogP value of 7.4 indicates that 对苯二甲酸二(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 52.6 Ų, 对苯二甲酸二(2-乙基己基)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对苯二甲酸二(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 对苯二甲酸二(2-乙基己基)酯?
The CAS number of 对苯二甲酸二(2-乙基己基)酯 is 6422-86-2.
What is the molecular formula of 对苯二甲酸二(2-乙基己基)酯?
The molecular formula of 对苯二甲酸二(2-乙基己基)酯 is C24H38O4.
What is the molecular weight of 对苯二甲酸二(2-乙基己基)酯?
The molecular weight of 对苯二甲酸二(2-乙基己基)酯 is 390.28 g/mol.
Where can I buy 对苯二甲酸二(2-乙基己基)酯?
You can request a quote for 对苯二甲酸二(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 对苯二甲酸二(2-乙基己基)酯?
Yes, KEHONG BIO provides custom synthesis services for 对苯二甲酸二(2-乙基己基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.