邻苯二甲酸二异辛基酯
TL;DR: 邻苯二甲酸二异辛基酯 (CAS 27554-26-3) 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.
邻苯二甲酸二异辛基酯
bis(6-methylheptyl) benzene-1,2-dicarboxylate
Also Known As: Diisooctyl phthalate, Bis(6-methylheptyl) phthalate, Isooctyl phthalate, Diop, Hexaplas M/O
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 8.5 |
| 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 | 390.0 |
| Melting Point | -4 °C /From Table/ |
| Boiling Point | 697.8 °C at 760 mmHg |
| Density | 0.980-0.983 at 20 °C/20 °C |
| Solubility | ... compatible with vinyl chloride resins and some cellulosic resins |
| Flash Point | 232.2 °C |
| Vapor Pressure | 0.0000055 [mmHg] |
Chemical Identifiers
| CAS Number | 27554-26-3 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C |
| InChIKey | IJFPVINAQGWBRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻苯二甲酸二异辛基酯 (CAS 27554-26-3), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: bis(6-methylheptyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 邻苯二甲酸二异辛基酯
Property Insights of 邻苯二甲酸二异辛基酯
The XLogP value of 8.5 indicates that 邻苯二甲酸二异辛基酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 邻苯二甲酸二异辛基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻苯二甲酸二异辛基酯 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 邻苯二甲酸二异辛基酯?
The CAS number of 邻苯二甲酸二异辛基酯 is 27554-26-3.
What is the molecular formula of 邻苯二甲酸二异辛基酯?
The molecular formula of 邻苯二甲酸二异辛基酯 is C24H38O4.
What is the molecular weight of 邻苯二甲酸二异辛基酯?
The molecular weight of 邻苯二甲酸二异辛基酯 is 390.28 g/mol.
Where can I buy 邻苯二甲酸二异辛基酯?
You can request a quote for 邻苯二甲酸二异辛基酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二甲酸二异辛基酯?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二甲酸二异辛基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.