Citral dimethyl acetal
TL;DR: Citral dimethyl acetal (CAS 7549-37-3) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethoxy-3,7-dimethylocta-2,6-diene
Also Known As: Citral dimethyl acetal, neral dimethyl acetal, CITRAL DIMETHYLACETAL, 1,1-Dimethoxy-3,7-dimethylocta-2,6-diene, FEMA No. 2305
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
| Density | 0.881-0.893 |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Refractive Index | 1.450-1.463 |
Chemical Identifiers
| CAS Number | 7549-37-3 |
|---|---|
| SMILES | CC(=CCCC(=CC(OC)OC)C)C |
| InChIKey | ZSKAJFSSXURRGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Citral dimethyl acetal (CAS 7549-37-3), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 1,1-dimethoxy-3,7-dimethylocta-2,6-diene.
Chemical Property Profile of Citral dimethyl acetal
Property Insights of Citral dimethyl acetal
The XLogP value of 3.4 indicates that Citral dimethyl acetal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Citral dimethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citral dimethyl acetal 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
Frequently Asked Questions
What is the CAS number of Citral dimethyl acetal?
The CAS number of Citral dimethyl acetal is 7549-37-3.
What is the molecular formula of Citral dimethyl acetal?
The molecular formula of Citral dimethyl acetal is C12H22O2.
What is the molecular weight of Citral dimethyl acetal?
The molecular weight of Citral dimethyl acetal is 198.16 g/mol.
Where can I buy Citral dimethyl acetal?
You can request a quote for Citral dimethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citral dimethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for Citral dimethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.