3-Ethyl-4-methylpentyl acetate
TL;DR: 3-Ethyl-4-methylpentyl acetate (CAS 68478-37-5) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-ethyl-4-methylpentyl) acetate
Also Known As: Isooctyl acetate, 3-ethyl-4-methylpentyl acetate, Acetic acid, octyl ester, branched, (3-ethyl-4-methylpentyl) acetate
Technical Specifications
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.14633 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 Da |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
| SMILES | CCC(CCOC(=O)C)C(C)C |
| InChIKey | DLNSFHIRHRZGJK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Ethyl-4-methylpentyl acetate
Property Insights of 3-Ethyl-4-methylpentyl acetate
The XLogP value of 3.1 indicates that 3-Ethyl-4-methylpentyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Ethyl-4-methylpentyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-4-methylpentyl 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 3-Ethyl-4-methylpentyl acetate?
The CAS number of 3-Ethyl-4-methylpentyl acetate is 68478-37-5.
What is the molecular formula of 3-Ethyl-4-methylpentyl acetate?
The molecular formula of 3-Ethyl-4-methylpentyl acetate is C10H20O2.
What is the molecular weight of 3-Ethyl-4-methylpentyl acetate?
The molecular weight of 3-Ethyl-4-methylpentyl acetate is 172.14633 g/mol.
Where can I buy 3-Ethyl-4-methylpentyl acetate?
You can request a quote for 3-Ethyl-4-methylpentyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethyl-4-methylpentyl acetate?
Yes, CoreyChem provides custom synthesis services for 3-Ethyl-4-methylpentyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.