5-甲基-2-己酮
TL;DR: 5-甲基-2-己酮 (CAS 110-12-3) is a chemical compound with molecular formula C7H14O and molecular weight 114.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-甲基-2-己酮
5-methylhexan-2-one
Also Known As: 5-METHYL-2-HEXANONE, 5-Methylhexan-2-one, Isoamyl methyl ketone, Methyl isoamyl ketone, 2-Hexanone, 5-methyl-
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
| Melting Point | -73.9 °C |
| Boiling Point | 143.9 °C at 760 mmHg |
| Density | 0.81 - Less dense than water; will float |
| Solubility | 0.5 % (NIOSH, 2024) |
| Flash Point | 36.1 °C |
| Vapor Pressure | 5 mmHg |
| Refractive Index | 1.4062 at 20 °C |
Chemical Identifiers
| CAS Number | 110-12-3 |
|---|---|
| SMILES | CC(C)CCC(=O)C |
| InChIKey | FFWSICBKRCICMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲基-2-己酮 (CAS 110-12-3), with molecular formula C7H14O and molecular weight 114.10 g/mol. IUPAC: 5-methylhexan-2-one.
Chemical Property Profile of 5-甲基-2-己酮
Property Insights of 5-甲基-2-己酮
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲基-2-己酮. With a topological polar surface area (TPSA) of 17.1 Ų, 5-甲基-2-己酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-甲基-2-己酮 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 5-甲基-2-己酮?
The CAS number of 5-甲基-2-己酮 is 110-12-3.
What is the molecular formula of 5-甲基-2-己酮?
The molecular formula of 5-甲基-2-己酮 is C7H14O.
What is the molecular weight of 5-甲基-2-己酮?
The molecular weight of 5-甲基-2-己酮 is 114.10 g/mol.
Where can I buy 5-甲基-2-己酮?
You can request a quote for 5-甲基-2-己酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-甲基-2-己酮?
Yes, KEHONG BIO provides custom synthesis services for 5-甲基-2-己酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.