2-Pentyl butanoate
TL;DR: 2-Pentyl butanoate (CAS 60415-61-4) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-2-yl butanoate
Also Known As: 2-Pentyl butyrate, pentan-2-yl butanoate, 1-Methylbutyl butanoate, 2-Pentyl butanoate, sec-Amyl butyrate
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
| Boiling Point | 185.00 to 186.00 °C. @ 760.00 mm Hg |
| Density | 0.862-0.868 |
| Solubility | insoluble in water; 50% soluble in heptane or triacetin |
| Refractive Index | 1.409-1.415 |
Chemical Identifiers
| CAS Number | 60415-61-4 |
|---|---|
| SMILES | CCCC(C)OC(=O)CCC |
| InChIKey | DJOCFLQKCMWABC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentyl butanoate (CAS 60415-61-4), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: pentan-2-yl butanoate.
Chemical Property Profile of 2-Pentyl butanoate
Property Insights of 2-Pentyl butanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentyl butanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Pentyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentyl butanoate 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
Frequently Asked Questions
What is the CAS number of 2-Pentyl butanoate?
The CAS number of 2-Pentyl butanoate is 60415-61-4.
What is the molecular formula of 2-Pentyl butanoate?
The molecular formula of 2-Pentyl butanoate is C9H18O2.
What is the molecular weight of 2-Pentyl butanoate?
The molecular weight of 2-Pentyl butanoate is 158.13 g/mol.
Where can I buy 2-Pentyl butanoate?
You can request a quote for 2-Pentyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.