Isobutyl ketone
TL;DR: Isobutyl ketone (CAS 108-83-8) is a chemical compound with molecular formula C9H18O and molecular weight 142.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
二异丁基甲酮
2,6-dimethylheptan-4-one
Also Known As: 2,6-Dimethyl-4-heptanone, DIISOBUTYL KETONE, 2,6-Dimethylheptan-4-one, Isovalerone, Isobutyl ketone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O |
| Molecular Weight | 142.13577 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.13577 Da |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
| Melting Point | -51.5 °F (NTP, 1992) |
| Boiling Point | 331 °F at 760 mmHg (NTP, 1992) |
| Density | 0.806 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 140 °F (NTP, 1992) |
| Vapor Pressure | 2.4 mmHg (NTP, 1992) |
| Refractive Index | Index of refraction: 1412 at 21 °C |
| Solubility | Slightly soluble (NTP, 1992) |
| SMILES | CC(C)CC(=O)CC(C)C |
| InChIKey | PTTPXKJBFFKCEK-UHFFFAOYSA-N |
Product Description
Applications: Isobutyl ketone is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Isobutyl ketone is a polymer intermediate identified by CAS number 108-83-8 and the molecular formula C9H18O and a molecular weight of 142.14 g/mol. Physically, the compound has a density of 0.806 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Slightly soluble (NTP, 1992). Synonyms include 2,6-Dimethyl-4-heptanone and DIISOBUTYL KETONE.
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 Isobutyl ketone
Property Insights of Isobutyl ketone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl ketone. With a topological polar surface area (TPSA) of 17.1 Ų, Isobutyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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
What is the CAS number of Isobutyl ketone?
The CAS number of Isobutyl ketone is 108-83-8.
What is the molecular formula of Isobutyl ketone?
The molecular formula of Isobutyl ketone is C9H18O.
What is the molecular weight of Isobutyl ketone?
The molecular weight of Isobutyl ketone is 142.13577 g/mol.
What are the applications of Isobutyl ketone?
Isobutyl ketone is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Isobutyl ketone?
You can request a quote for Isobutyl ketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl ketone?
Yes, CoreyChem provides custom synthesis services for Isobutyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.