3,7-Dimethylocta-2,6-dienyl acetate
TL;DR: 3,7-Dimethylocta-2,6-dienyl acetate (CAS 105-87-3) 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.
3,7-dimethylocta-2,6-dienyl acetate
Also Known As: Neryl acetate, GERANYL ACETATE, Geraniol acetate, geranylacetate, 3,7-Dimethylocta-2,6-dienyl acetate
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.14633 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.14633 Da |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
| SMILES | CC(=CCCC(=CCOC(=O)C)C)C |
| InChIKey | HIGQPQRQIQDZMP-UHFFFAOYSA-N |
Product Description
Applications: 3,7-Dimethylocta-2,6-dienyl acetate 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).
A surfactant raw material supplied by CoreyChem, 3,7-Dimethylocta-2,6-dienyl acetate (CAS 105-87-3) has the molecular formula C12H20O2 and a molecular weight of 196.15 g/mol. Synonyms include Neryl acetate and GERANYL ACETATE.
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-dienyl acetate
Property Insights of 3,7-Dimethylocta-2,6-dienyl acetate
The XLogP value of 3.5 indicates that 3,7-Dimethylocta-2,6-dienyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,7-Dimethylocta-2,6-dienyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-2,6-dienyl acetate 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 3,7-Dimethylocta-2,6-dienyl acetate?
The CAS number of 3,7-Dimethylocta-2,6-dienyl acetate is 105-87-3.
What is the molecular formula of 3,7-Dimethylocta-2,6-dienyl acetate?
The molecular formula of 3,7-Dimethylocta-2,6-dienyl acetate is C12H20O2.
What is the molecular weight of 3,7-Dimethylocta-2,6-dienyl acetate?
The molecular weight of 3,7-Dimethylocta-2,6-dienyl acetate is 196.14633 g/mol.
What are the applications of 3,7-Dimethylocta-2,6-dienyl acetate?
3,7-Dimethylocta-2,6-dienyl acetate 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...
Where can I buy 3,7-Dimethylocta-2,6-dienyl acetate?
You can request a quote for 3,7-Dimethylocta-2,6-dienyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dimethylocta-2,6-dienyl acetate?
Yes, CoreyChem provides custom synthesis services for 3,7-Dimethylocta-2,6-dienyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.