1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
TL;DR: 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one (CAS 35044-68-9) is a chemical compound with molecular formula C13H20O and molecular weight 192.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one
Also Known As: beta-Damascone, damascone, alpha-Damascone, A-Damascone, (E)-beta-Damascone
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H20O |
| Molecular Weight | 192.15141 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.15141 Da |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
| SMILES | CC=CC(=O)C1=C(CCCC1(C)C)C |
| InChIKey | BGTBFNDXYDYBEY-UHFFFAOYSA-N |
Product Description
Applications: 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-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. CoreyChem supplies 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one (CAS 35044-68-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one (CAS 35044-68-9) is a organic building block with the molecular formula C13H20O and a molecular weight of 192.15 g/mol. It is also known as beta-Damascone and damascone.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
Property Insights of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
The XLogP value of 3.5 indicates that 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-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 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one?
The CAS number of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one is 35044-68-9.
What is the molecular formula of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one?
The molecular formula of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one is C13H20O.
What is the molecular weight of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one?
The molecular weight of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one is 192.15141 g/mol.
What are the applications of 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one?
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-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. CoreyChem supplies...
Where can I buy 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one?
You can request a quote for 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one?
Yes, CoreyChem provides custom synthesis services for 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.