Citracetal
TL;DR: Citracetal (CAS 117831-19-3) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-dioxolane
Also Known As: Citracetal, Citral ethyleneglycol acetal, Citral ethylene glycol acetal, Citralethyleneglycolacetal, EINECS 266-344-0
Technical Specifications
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.14633 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 196.14633 Da |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
| SMILES | CC(=CCC/C(=C/C1OCCO1)/C)C |
| InChIKey | KSDZVTNRVWBTFN-PKNBQFBNSA-N |
Chemical Property Profile of Citracetal
Property Insights of Citracetal
The XLogP value of 3.2 indicates that Citracetal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Citracetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citracetal has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Citracetal?
The CAS number of Citracetal is 117831-19-3.
What is the molecular formula of Citracetal?
The molecular formula of Citracetal is C12H20O2.
What is the molecular weight of Citracetal?
The molecular weight of Citracetal is 196.14633 g/mol.
Where can I buy Citracetal?
You can request a quote for Citracetal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Citracetal?
Yes, CoreyChem provides custom synthesis services for Citracetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.