3-Pentyl acetate
TL;DR: 3-Pentyl acetate (CAS 620-11-1) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-3-yl acetate
Also Known As: 3-Pentyl acetate, pentan-3-yl acetate, 1-Ethylpropyl acetate, 3-Pentanol, acetate, 1-Ethylpropyl ethanoate
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
| Flash Point | 33.4 °C |
| Vapor Pressure | 7.85 mmHg |
Chemical Identifiers
| CAS Number | 620-11-1 |
|---|---|
| SMILES | CCC(CC)OC(=O)C |
| InChIKey | PBKYSIMDORTIEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pentyl acetate (CAS 620-11-1), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: pentan-3-yl acetate.
Chemical Property Profile of 3-Pentyl acetate
Property Insights of 3-Pentyl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Pentyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentyl acetate 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 3-Pentyl acetate?
The CAS number of 3-Pentyl acetate is 620-11-1.
What is the molecular formula of 3-Pentyl acetate?
The molecular formula of 3-Pentyl acetate is C7H14O2.
What is the molecular weight of 3-Pentyl acetate?
The molecular weight of 3-Pentyl acetate is 130.10 g/mol.
Where can I buy 3-Pentyl acetate?
You can request a quote for 3-Pentyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.