Ethyl iso-amyl ketone
TL;DR: Ethyl iso-amyl ketone (CAS 624-42-0) is a chemical compound with molecular formula C8H16O and molecular weight 128.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptan-3-one
Also Known As: 6-Methylheptan-3-one, 2-Methyl-5-heptanone, Ethyl isoamyl ketone, 6-Methyl-3-heptanone, 3-Heptanone, 6-methyl-
| Molecular Formula | C8H16O |
|---|---|
| Molecular Weight | 128.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.12012 |
| Heavy Atoms | 9 |
| Complexity | 84.0 |
| Boiling Point | 164 °C |
| Density | 0.8304 g/cu cm at 20 °C |
| Solubility | Soluble in ethanol, ether, benzene, carbon tetrachloride, organic solvents |
| Vapor Pressure | 2.75 [mmHg] |
| Refractive Index | 1.4209 at 20 °C |
Chemical Identifiers
| CAS Number | 624-42-0 |
|---|---|
| SMILES | CCC(=O)CCC(C)C |
| InChIKey | CCCIYAQYQZQDIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl iso-amyl ketone (CAS 624-42-0), with molecular formula C8H16O and molecular weight 128.12 g/mol. IUPAC: 6-methylheptan-3-one.
Chemical Property Profile of Ethyl iso-amyl ketone
Property Insights of Ethyl iso-amyl ketone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl iso-amyl ketone. With a topological polar surface area (TPSA) of 17.1 Ų, Ethyl iso-amyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl iso-amyl ketone has 0 hydrogen bond donor(s) and 1 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 Ethyl iso-amyl ketone?
The CAS number of Ethyl iso-amyl ketone is 624-42-0.
What is the molecular formula of Ethyl iso-amyl ketone?
The molecular formula of Ethyl iso-amyl ketone is C8H16O.
What is the molecular weight of Ethyl iso-amyl ketone?
The molecular weight of Ethyl iso-amyl ketone is 128.12 g/mol.
Where can I buy Ethyl iso-amyl ketone?
You can request a quote for Ethyl iso-amyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl iso-amyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Ethyl iso-amyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.