tert-Amyl butyrate
TL;DR: tert-Amyl butyrate (CAS 16537-12-5) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbutan-2-yl butanoate
Also Known As: tert-Amyl butyrate, tert-Pentyl butyrate, tert-Pentylbutyrate, tert-Pentyl butyrate #, 2-methylbutan-2-yl butanoate
Technical Specifications
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13068 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.13068 Da |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
| SMILES | CCCC(=O)OC(C)(C)CC |
| InChIKey | VTZSXMMBJHMLEE-UHFFFAOYSA-N |
Chemical Property Profile of tert-Amyl butyrate
Property Insights of tert-Amyl butyrate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Amyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Amyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Amyl butyrate 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 tert-Amyl butyrate?
The CAS number of tert-Amyl butyrate is 16537-12-5.
What is the molecular formula of tert-Amyl butyrate?
The molecular formula of tert-Amyl butyrate is C9H18O2.
What is the molecular weight of tert-Amyl butyrate?
The molecular weight of tert-Amyl butyrate is 158.13068 g/mol.
Where can I buy tert-Amyl butyrate?
You can request a quote for tert-Amyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Amyl butyrate?
Yes, CoreyChem provides custom synthesis services for tert-Amyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.