5-Methyl-3-heptanone
TL;DR: 5-Methyl-3-heptanone (CAS 541-85-5) is a chemical compound with molecular formula C8H16O and molecular weight 128.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methylheptan-3-one
Also Known As: 5-Methylheptan-3-one, 5-METHYL-3-HEPTANONE, Ethyl amyl ketone, 3-Heptanone, 5-methyl-, Amyl ethyl ketone
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O |
| Molecular Weight | 128.12012 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.12012 Da |
| Heavy Atoms | 9 |
| Complexity | 86.0 |
| Melting Point | -70 °F (NIOSH, 2024) |
| Boiling Point | 315 °F at 760 mmHg (NIOSH, 2024) |
| Density | 0.82 (NIOSH, 2024) - Less dense than water; will float |
| Flash Point | 138 °F (NIOSH, 2024) |
| Vapor Pressure | 2 mmHg (NIOSH, 2024) |
| Solubility | Insoluble (NIOSH, 2024) |
| SMILES | CCC(C)CC(=O)CC |
| InChIKey | PSBKJPTZCVYXSD-UHFFFAOYSA-N |
Product Description
Applications: 5-Methyl-3-heptanone 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).
5-Methyl-3-heptanone (CAS 541-85-5) is a polymer intermediate with the molecular formula C8H16O and a molecular weight of 128.12 g/mol. Key physical properties include a density of 0.82 (NIOSH, 2024) - Less dense than water; will float g/cm³, a solubility: Insoluble (NIOSH, 2024). Synonyms include 5-Methylheptan-3-one and 5-METHYL-3-HEPTANONE.
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 5-Methyl-3-heptanone
Property Insights of 5-Methyl-3-heptanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-3-heptanone. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Methyl-3-heptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-3-heptanone 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 5-Methyl-3-heptanone?
The CAS number of 5-Methyl-3-heptanone is 541-85-5.
What is the molecular formula of 5-Methyl-3-heptanone?
The molecular formula of 5-Methyl-3-heptanone is C8H16O.
What is the molecular weight of 5-Methyl-3-heptanone?
The molecular weight of 5-Methyl-3-heptanone is 128.12012 g/mol.
What are the applications of 5-Methyl-3-heptanone?
5-Methyl-3-heptanone 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 5-Methyl-3-heptanone?
You can request a quote for 5-Methyl-3-heptanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-3-heptanone?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-3-heptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.