二异丙基丙酮
TL;DR: 二异丙基丙酮 (CAS 108-83-8) is a chemical compound with molecular formula C9H18O and molecular weight 142.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二异丙基丙酮
2,6-dimethylheptan-4-one
Also Known As: 2,6-Dimethyl-4-heptanone, DIISOBUTYL KETONE, 2,6-Dimethylheptan-4-one, Isovalerone, Isobutyl ketone
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.13577 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
| Melting Point | -46.4 °C |
| Boiling Point | 166.1 °C at 760 mmHg |
| Density | 0.806 at 20.0 °C - Less dense than water; will float |
| Solubility | Slightly soluble (NTP, 1992) |
| Flash Point | 60.0 °C |
| Vapor Pressure | 2.4 mmHg |
| Refractive Index | 1412 at 21 °C |
Chemical Identifiers
| CAS Number | 108-83-8 |
|---|---|
| SMILES | CC(C)CC(=O)CC(C)C |
| InChIKey | PTTPXKJBFFKCEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二异丙基丙酮 (CAS 108-83-8), with molecular formula C9H18O and molecular weight 142.14 g/mol. IUPAC: 2,6-dimethylheptan-4-one.
Chemical Property Profile of 二异丙基丙酮
Property Insights of 二异丙基丙酮
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二异丙基丙酮. With a topological polar surface area (TPSA) of 17.1 Ų, 二异丙基丙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二异丙基丙酮 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 二异丙基丙酮?
The CAS number of 二异丙基丙酮 is 108-83-8.
What is the molecular formula of 二异丙基丙酮?
The molecular formula of 二异丙基丙酮 is C9H18O.
What is the molecular weight of 二异丙基丙酮?
The molecular weight of 二异丙基丙酮 is 142.14 g/mol.
Where can I buy 二异丙基丙酮?
You can request a quote for 二异丙基丙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二异丙基丙酮?
Yes, KEHONG BIO provides custom synthesis services for 二异丙基丙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.