鄰苯二甲酸二正辛酯
TL;DR: 鄰苯二甲酸二正辛酯 (CAS 117-84-0) 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.
鄰苯二甲酸二正辛酯
dioctyl benzene-1,2-dicarboxylate
Also Known As: Dioctyl phthalate, DI-N-OCTYL PHTHALATE, Dinopol NOP, Vinicizer 85, DNOP
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 369.0 |
| Melting Point | -25.0 °C |
| Boiling Point | 220.0 °C at 760 mmHg |
| Density | 0.98 at 25.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | 103.9 °C |
| Vapor Pressure | less than 0.2 mmHg at 150.0 °C |
| Refractive Index | = 1.485 at 20 °C |
Chemical Identifiers
| CAS Number | 117-84-0 |
|---|---|
| SMILES | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC |
| InChIKey | MQIUGAXCHLFZKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
鄰苯二甲酸二正辛酯 (CAS 117-84-0), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: dioctyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 鄰苯二甲酸二正辛酯
Property Insights of 鄰苯二甲酸二正辛酯
The XLogP value of 9.1 indicates that 鄰苯二甲酸二正辛酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 鄰苯二甲酸二正辛酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 鄰苯二甲酸二正辛酯 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 鄰苯二甲酸二正辛酯?
The CAS number of 鄰苯二甲酸二正辛酯 is 117-84-0.
What is the molecular formula of 鄰苯二甲酸二正辛酯?
The molecular formula of 鄰苯二甲酸二正辛酯 is C24H38O4.
What is the molecular weight of 鄰苯二甲酸二正辛酯?
The molecular weight of 鄰苯二甲酸二正辛酯 is 390.28 g/mol.
Where can I buy 鄰苯二甲酸二正辛酯?
You can request a quote for 鄰苯二甲酸二正辛酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 鄰苯二甲酸二正辛酯?
Yes, KEHONG BIO provides custom synthesis services for 鄰苯二甲酸二正辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.