6-Methyl-5-hepten-2-one
TL;DR: 6-Methyl-5-hepten-2-one (CAS 110-93-0) is a chemical compound with molecular formula C8H14O and molecular weight 126.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methylhept-5-en-2-one
Also Known As: Sulcatone, 6-METHYL-5-HEPTEN-2-ONE, 6-Methylhept-5-en-2-one, Methylheptenone, METHYL HEPTENONE
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O |
| Molecular Weight | 126.10446 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.10446 Da |
| Heavy Atoms | 9 |
| Complexity | 119.0 |
| Melting Point | FP: -67.1 °C |
| Boiling Point | 173 °C @ 760 MM HG |
| Density | 0.8546 @ 16 °C/4 °C |
| Flash Point | 135 °F (57 °C) |
| Vapor Pressure | 0.75 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.4445 @ 20 °C/D; SADTLER REF NUMBER: 1645 (IR, PRISM) |
| Solubility | INSOL IN WATER; SOL IN ALL PROP WITH ALCOHOL, ETHER |
| SMILES | CC(=CCCC(=O)C)C |
| InChIKey | UHEPJGULSIKKTP-UHFFFAOYSA-N |
Product Description
Applications: 6-Methyl-5-hepten-2-one is used in complex organic molecule assembly across discovery and process chemistry, as well as surfactant and detergent formulations. 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).
A organic building block supplied by CoreyChem, 6-Methyl-5-hepten-2-one (CAS 110-93-0) has the molecular formula C8H14O and a molecular weight of 126.1 g/mol. Reported properties include a density of 0.8546 @ 16 °C/4 °C g/cm³, a solubility: INSOL IN WATER; SOL IN ALL PROP WITH ALCOHOL, ETHER. Synonyms include Sulcatone and 6-METHYL-5-HEPTEN-2-ONE.
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 6-Methyl-5-hepten-2-one
Property Insights of 6-Methyl-5-hepten-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-5-hepten-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 6-Methyl-5-hepten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-5-hepten-2-one 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 6-Methyl-5-hepten-2-one?
The CAS number of 6-Methyl-5-hepten-2-one is 110-93-0.
What is the molecular formula of 6-Methyl-5-hepten-2-one?
The molecular formula of 6-Methyl-5-hepten-2-one is C8H14O.
What is the molecular weight of 6-Methyl-5-hepten-2-one?
The molecular weight of 6-Methyl-5-hepten-2-one is 126.10446 g/mol.
What are the applications of 6-Methyl-5-hepten-2-one?
6-Methyl-5-hepten-2-one is used in complex organic molecule assembly across discovery and process chemistry, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 6-Methyl-5-hepten-2-one?
You can request a quote for 6-Methyl-5-hepten-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methyl-5-hepten-2-one?
Yes, CoreyChem provides custom synthesis services for 6-Methyl-5-hepten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.