4-Methyl-2-pentyl acetate
TL;DR: 4-Methyl-2-pentyl acetate (CAS 108-84-9) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpentan-2-yl acetate
Also Known As: 1,3-Dimethylbutyl acetate, Methylamyl acetate, Methylisoamyl acetate, 4-METHYL-2-PENTYL ACETATE, sec-Hexyl acetate
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 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 | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
| Melting Point | -63.8 °C |
| Boiling Point | 146.2 °C at 760 mmHg |
| Density | 0.86 at 20.0 °C - Less dense than water; will float |
| Solubility | 0.08 % (NIOSH, 2024) |
| Flash Point | 45.0 °C |
| Vapor Pressure | 10.86 mmHg |
| Refractive Index | 1.3980 @ 20 °C |
Chemical Identifiers
| CAS Number | 108-84-9 |
|---|---|
| SMILES | CC(C)CC(C)OC(=O)C |
| InChIKey | CPIVYSAVIPTCCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-2-pentyl acetate (CAS 108-84-9), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 4-methylpentan-2-yl acetate.
Chemical Property Profile of 4-Methyl-2-pentyl acetate
Property Insights of 4-Methyl-2-pentyl acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-pentyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methyl-2-pentyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-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 4-Methyl-2-pentyl acetate?
The CAS number of 4-Methyl-2-pentyl acetate is 108-84-9.
What is the molecular formula of 4-Methyl-2-pentyl acetate?
The molecular formula of 4-Methyl-2-pentyl acetate is C8H16O2.
What is the molecular weight of 4-Methyl-2-pentyl acetate?
The molecular weight of 4-Methyl-2-pentyl acetate is 144.12 g/mol.
Where can I buy 4-Methyl-2-pentyl acetate?
You can request a quote for 4-Methyl-2-pentyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-pentyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-pentyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.