3,5,5-Trimethylhexyl 2-ethylhexanoate
TL;DR: 3,5,5-Trimethylhexyl 2-ethylhexanoate (CAS 85118-40-7) is a chemical compound with molecular formula C17H34O2 and molecular weight 270.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethylhexyl 2-ethylhexanoate
Also Known As: 3,5,5-Trimethylhexyl 2-ethylhexanoate, EINECS 285-695-0, 3,5,5-trimethylhexyl2-ethylhexanoate, 2-Ethylhexanoic acid 3,5,5-trimethylhexyl ester
| Molecular Formula | C17H34O2 |
|---|---|
| Molecular Weight | 270.26 g/mol |
| LogP | 5.2084 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 270.2559 |
| Heavy Atoms | 19 |
| Complexity | 240.13684 |
Chemical Identifiers
| CAS Number | 85118-40-7 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OCCC(C)CC(C)(C)C |
Product Overview
3,5,5-Trimethylhexyl 2-ethylhexanoate (CAS 85118-40-7), with molecular formula C17H34O2 and molecular weight 270.26 g/mol. IUPAC: 3,5,5-trimethylhexyl 2-ethylhexanoate.
Chemical Property Profile of 3,5,5-Trimethylhexyl 2-ethylhexanoate
Property Insights of 3,5,5-Trimethylhexyl 2-ethylhexanoate
The XLogP value of 5.2084 indicates that 3,5,5-Trimethylhexyl 2-ethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,5,5-Trimethylhexyl 2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethylhexyl 2-ethylhexanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5,5-Trimethylhexyl 2-ethylhexanoate?
The CAS number of 3,5,5-Trimethylhexyl 2-ethylhexanoate is 85118-40-7.
What is the molecular formula of 3,5,5-Trimethylhexyl 2-ethylhexanoate?
The molecular formula of 3,5,5-Trimethylhexyl 2-ethylhexanoate is C17H34O2.
What is the molecular weight of 3,5,5-Trimethylhexyl 2-ethylhexanoate?
The molecular weight of 3,5,5-Trimethylhexyl 2-ethylhexanoate is 270.26 g/mol.
Where can I buy 3,5,5-Trimethylhexyl 2-ethylhexanoate?
You can request a quote for 3,5,5-Trimethylhexyl 2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethylhexyl 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethylhexyl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.