Glycol Diethylhexanoate
TL;DR: Glycol Diethylhexanoate (CAS 9004-93-7) is a chemical compound with molecular formula C18H34O4 and molecular weight 314.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethylhexanoyloxy)ethyl 2-ethylhexanoate
Also Known As: Glycol diethylhexanoate, AEC glycol diethylhexanoate, 2-Ethylhexanoic acid 1,2-ethanediyl ester, (+/-)-Glycol diethylhexanoate, Ethylene glycol di (2-ethylhexyl)
| Molecular Formula | C18H34O4 |
|---|---|
| Molecular Weight | 314.25 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 314.2457 |
| Heavy Atoms | 22 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 9004-93-7 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OCCOC(=O)C(CC)CCCC |
| InChIKey | XCQFTFZCTGZCNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Glycol Diethylhexanoate (CAS 9004-93-7), with molecular formula C18H34O4 and molecular weight 314.25 g/mol. IUPAC: 2-(2-ethylhexanoyloxy)ethyl 2-ethylhexanoate.
Chemical Property Profile of Glycol Diethylhexanoate
Property Insights of Glycol Diethylhexanoate
The XLogP value of 5.7 indicates that Glycol Diethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Glycol Diethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Glycol Diethylhexanoate 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 Glycol Diethylhexanoate?
The CAS number of Glycol Diethylhexanoate is 9004-93-7.
What is the molecular formula of Glycol Diethylhexanoate?
The molecular formula of Glycol Diethylhexanoate is C18H34O4.
What is the molecular weight of Glycol Diethylhexanoate?
The molecular weight of Glycol Diethylhexanoate is 314.25 g/mol.
Where can I buy Glycol Diethylhexanoate?
You can request a quote for Glycol Diethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycol Diethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for Glycol Diethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.