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 144.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylpentan-2-yl acetate
Also Known As: 1,3-Dimethylbutyl acetate, Methylamyl acetate, Methylisoamyl acetate, 4-METHYL-2-PENTYL ACETATE, sec-Hexyl acetate
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.11504 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.11504 Da |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
| Melting Point | -82.8 °F (USCG, 1999) |
| Boiling Point | 295.2 °F at 760 mmHg (USCG, 1999) |
| Density | 0.86 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 113 °F (USCG, 1999) |
| Vapor Pressure | 10.86 mmHg (USCG, 1999) |
| Refractive Index | INDEX OF REFRACTION: 1.3980 @ 20 °C/D |
| Solubility | 0.08 % (NIOSH, 2024) |
| SMILES | CC(C)CC(C)OC(=O)C |
| InChIKey | CPIVYSAVIPTCCX-UHFFFAOYSA-N |
Product Description
Applications: 4-Methyl-2-pentyl acetate is used in agrochemical development, including crop protection agent synthesis, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Methyl-2-pentyl acetate (CAS 108-84-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Methyl-2-pentyl acetate (CAS 108-84-9) is a agrochemical intermediate with the molecular formula C8H16O2 and a molecular weight of 144.12 g/mol. Key physical properties include a density of 0.86 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 0.08 % (NIOSH, 2024). It is also known as 1,3-Dimethylbutyl acetate and Methylamyl acetate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 144.11504 g/mol.
What are the applications of 4-Methyl-2-pentyl acetate?
4-Methyl-2-pentyl acetate is used in agrochemical development, including crop protection agent synthesis, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Methyl-2-pentyl acetate (CAS...
Where can I buy 4-Methyl-2-pentyl acetate?
You can request a quote for 4-Methyl-2-pentyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-2-pentyl acetate?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-2-pentyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.