3,7-Dimethyl-2,6-octadienyl Butyrate
TL;DR: 3,7-Dimethyl-2,6-octadienyl Butyrate (CAS 106-29-6) is a chemical compound with molecular formula C14H24O2 and molecular weight 224.17763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethylocta-2,6-dienyl butanoate
Also Known As: Geranyl butyrate, Neryl butyrate, Neryl butanoate, Nonyl n-butyrate, 3,7-Dimethyl-2,6-octadienyl Butyrate
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H24O2 |
| Molecular Weight | 224.17763 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 224.17763 Da |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
| SMILES | CCCC(=O)OCC=C(C)CCC=C(C)C |
| InChIKey | ZSBOMYJPSRFZAL-UHFFFAOYSA-N |
Product Description
Applications: 3,7-Dimethyl-2,6-octadienyl Butyrate is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. 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).
3,7-Dimethyl-2,6-octadienyl Butyrate is a pharmaceutical intermediate identified by CAS number 106-29-6 and the molecular formula C14H24O2 and a molecular weight of 224.18 g/mol. Synonyms include Geranyl butyrate and Neryl butyrate.
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-Dimethyl-2,6-octadienyl Butyrate
Property Insights of 3,7-Dimethyl-2,6-octadienyl Butyrate
The XLogP value of 4.3 indicates that 3,7-Dimethyl-2,6-octadienyl Butyrate 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-Dimethyl-2,6-octadienyl Butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyl-2,6-octadienyl Butyrate 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-Dimethyl-2,6-octadienyl Butyrate?
The CAS number of 3,7-Dimethyl-2,6-octadienyl Butyrate is 106-29-6.
What is the molecular formula of 3,7-Dimethyl-2,6-octadienyl Butyrate?
The molecular formula of 3,7-Dimethyl-2,6-octadienyl Butyrate is C14H24O2.
What is the molecular weight of 3,7-Dimethyl-2,6-octadienyl Butyrate?
The molecular weight of 3,7-Dimethyl-2,6-octadienyl Butyrate is 224.17763 g/mol.
What are the applications of 3,7-Dimethyl-2,6-octadienyl Butyrate?
3,7-Dimethyl-2,6-octadienyl Butyrate is used in pharmaceutical synthesis routes and API production, as well as food, feed, and nutraceutical applications. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy 3,7-Dimethyl-2,6-octadienyl Butyrate?
You can request a quote for 3,7-Dimethyl-2,6-octadienyl Butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dimethyl-2,6-octadienyl Butyrate?
Yes, CoreyChem provides custom synthesis services for 3,7-Dimethyl-2,6-octadienyl Butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.