Allyl ionone
TL;DR: Allyl ionone (CAS 79-78-7) is a chemical compound with molecular formula C16H24O and molecular weight 232.18271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one
Also Known As: Allyl ionone, Allyl alpha-ionone, Allyl-alpha-ionone, Cetone V, Ionone, allyl alpha-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H24O |
| Molecular Weight | 232.18271 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.18271 Da |
| Heavy Atoms | 17 |
| Complexity | 345.0 |
| SMILES | CC1=CCCC(C1C=CC(=O)CCC=C)(C)C |
| InChIKey | FXCYGAGBPZQRJE-UHFFFAOYSA-N |
Product Description
Applications: Allyl ionone is used in surfactant and detergent formulations, as well as pharmaceutical synthesis routes and API production. 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).
Allyl ionone (CAS 79-78-7) is a surfactant raw material with the molecular formula C16H24O and a molecular weight of 232.18 g/mol. Synonyms include Allyl ionone and Allyl alpha-ionone.
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 Allyl ionone
Property Insights of Allyl ionone
The XLogP value of 4.0 indicates that Allyl ionone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Allyl ionone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl ionone 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 Allyl ionone?
The CAS number of Allyl ionone is 79-78-7.
What is the molecular formula of Allyl ionone?
The molecular formula of Allyl ionone is C16H24O.
What is the molecular weight of Allyl ionone?
The molecular weight of Allyl ionone is 232.18271 g/mol.
What are the applications of Allyl ionone?
Allyl ionone is used in surfactant and detergent formulations, as well as pharmaceutical synthesis routes and API production. 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...
Where can I buy Allyl ionone?
You can request a quote for Allyl ionone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allyl ionone?
Yes, CoreyChem provides custom synthesis services for Allyl ionone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.