Isooctyl 2-ethylhexanoate
TL;DR: Isooctyl 2-ethylhexanoate (CAS 30676-91-6) is a chemical compound with molecular formula C16H32O2 and molecular weight 256.24023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methylheptyl 2-ethylhexanoate
Also Known As: Isooctyl 2-ethylhexanoate, 6-methylheptyl 2-ethylhexanoate, 2-Ethylhexanoic acid 6-methylheptyl ester, 250-285-2, EINECS 250-285-2
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H32O2 |
| Molecular Weight | 256.24023 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 256.24023 Da |
| Heavy Atoms | 18 |
| Complexity | 199.0 |
| SMILES | CCCCC(CC)C(=O)OCCCCCC(C)C |
| InChIKey | ARKBMHLACAUIQS-UHFFFAOYSA-N |
Chemical Property Profile of Isooctyl 2-ethylhexanoate
Property Insights of Isooctyl 2-ethylhexanoate
The XLogP value of 6.1 indicates that Isooctyl 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, Isooctyl 2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isooctyl 2-ethylhexanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Isooctyl 2-ethylhexanoate?
The CAS number of Isooctyl 2-ethylhexanoate is 30676-91-6.
What is the molecular formula of Isooctyl 2-ethylhexanoate?
The molecular formula of Isooctyl 2-ethylhexanoate is C16H32O2.
What is the molecular weight of Isooctyl 2-ethylhexanoate?
The molecular weight of Isooctyl 2-ethylhexanoate is 256.24023 g/mol.
Where can I buy Isooctyl 2-ethylhexanoate?
You can request a quote for Isooctyl 2-ethylhexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isooctyl 2-ethylhexanoate?
Yes, CoreyChem provides custom synthesis services for Isooctyl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.