3,7-Dimethylocta-2,6-Dienal
TL;DR: 3,7-Dimethylocta-2,6-Dienal (CAS 5392-40-5) is a chemical compound with molecular formula C10H16O and molecular weight 152.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethylocta-2,6-dienal
Also Known As: Citral, 3,7-Dimethyl-2,6-octadienal, lime octadienal, 3,7-dimethylocta-2,6-dienal, Lemarome n
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16O |
| Molecular Weight | 152.12012 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 152.12012 Da |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
| SMILES | CC(=CCCC(=CC=O)C)C |
| InChIKey | WTEVQBCEXWBHNA-UHFFFAOYSA-N |
Product Description
Applications: 3,7-Dimethylocta-2,6-Dienal is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,7-Dimethylocta-2,6-Dienal (CAS 5392-40-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3,7-Dimethylocta-2,6-Dienal is a pharmaceutical intermediate identified by CAS number 5392-40-5 and the molecular formula C10H16O and a molecular weight of 152.12 g/mol. It is also known as Citral and 3,7-Dimethyl-2,6-octadienal.
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 3,7-Dimethylocta-2,6-Dienal
Property Insights of 3,7-Dimethylocta-2,6-Dienal
The XLogP value of 3.0 indicates that 3,7-Dimethylocta-2,6-Dienal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3,7-Dimethylocta-2,6-Dienal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-2,6-Dienal 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 3,7-Dimethylocta-2,6-Dienal?
The CAS number of 3,7-Dimethylocta-2,6-Dienal is 5392-40-5.
What is the molecular formula of 3,7-Dimethylocta-2,6-Dienal?
The molecular formula of 3,7-Dimethylocta-2,6-Dienal is C10H16O.
What is the molecular weight of 3,7-Dimethylocta-2,6-Dienal?
The molecular weight of 3,7-Dimethylocta-2,6-Dienal is 152.12012 g/mol.
What are the applications of 3,7-Dimethylocta-2,6-Dienal?
3,7-Dimethylocta-2,6-Dienal is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,7-Dimethylocta-2,6-Dienal (CAS 5392-40-5) with custom...
Where can I buy 3,7-Dimethylocta-2,6-Dienal?
You can request a quote for 3,7-Dimethylocta-2,6-Dienal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dimethylocta-2,6-Dienal?
Yes, CoreyChem provides custom synthesis services for 3,7-Dimethylocta-2,6-Dienal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.