2-Ethylhexyl pivalate
TL;DR: 2-Ethylhexyl pivalate (CAS 16387-18-1) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhexyl 2,2-dimethylpropanoate
Also Known As: 2-Ethylhexyl pivalate, 2-ethylhexyl 2,2-dimethylpropanoate, Octyl Neopentanoate, 2-Ethylhexylpivalate, 2- ethylhexyl pivalate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.19328 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 214.19328 Da |
| Heavy Atoms | 15 |
| Complexity | 179.0 |
| SMILES | CCCCC(CC)COC(=O)C(C)(C)C |
| InChIKey | DGGIWFWLKMKNQZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethylhexyl pivalate
Property Insights of 2-Ethylhexyl pivalate
The XLogP value of 4.6 indicates that 2-Ethylhexyl pivalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Ethylhexyl pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl pivalate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Ethylhexyl pivalate?
The CAS number of 2-Ethylhexyl pivalate is 16387-18-1.
What is the molecular formula of 2-Ethylhexyl pivalate?
The molecular formula of 2-Ethylhexyl pivalate is C13H26O2.
What is the molecular weight of 2-Ethylhexyl pivalate?
The molecular weight of 2-Ethylhexyl pivalate is 214.19328 g/mol.
Where can I buy 2-Ethylhexyl pivalate?
You can request a quote for 2-Ethylhexyl pivalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethylhexyl pivalate?
Yes, CoreyChem provides custom synthesis services for 2-Ethylhexyl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.