2-Ethylhexyl 2,2,5-trimethylhexyl sebacate
TL;DR: 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate (CAS 71607-40-4) is a chemical compound with molecular formula C27H52O4 and molecular weight 440.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-(2-ethylhexyl) 10-O-(2,2,5-trimethylhexyl) decanedioate
Also Known As: EINECS 275-681-2, 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate, 2-ethylhexyl2,2,5-trimethylhexylsebacate, 2-Ethylhexyl 2,2,5-trimethylhexyl decanedioate, 1-O-(2-ethylhexyl) 10-O-(2,2,5-trimethylhexyl) decanedioate
| Molecular Formula | C27H52O4 |
|---|---|
| Molecular Weight | 440.39 g/mol |
| LogP | 7.8724 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 440.38657 |
| Heavy Atoms | 31 |
| Complexity | 456.1528 |
Chemical Identifiers
| CAS Number | 71607-40-4 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(C)(C)CCC(C)C |
Product Overview
2-Ethylhexyl 2,2,5-trimethylhexyl sebacate (CAS 71607-40-4), with molecular formula C27H52O4 and molecular weight 440.39 g/mol. IUPAC: 1-O-(2-ethylhexyl) 10-O-(2,2,5-trimethylhexyl) decanedioate.
Chemical Property Profile of 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate
Property Insights of 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate
The XLogP value of 7.8724 indicates that 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate 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 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate?
The CAS number of 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate is 71607-40-4.
What is the molecular formula of 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate?
The molecular formula of 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate is C27H52O4.
What is the molecular weight of 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate?
The molecular weight of 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate is 440.39 g/mol.
Where can I buy 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate?
You can request a quote for 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl 2,2,5-trimethylhexyl sebacate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.