Citronellyl butyrate
TL;DR: Citronellyl butyrate (CAS 141-16-2) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyloct-6-enyl butanoate
Also Known As: Citronellyl butyrate, Rhodinyl butyrate, Citronellyl n-butyrate, Citronellyl butanoate, 3,7-dimethyloct-6-en-1-yl butanoate
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H26O2 |
| Molecular Weight | 226.19328 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 226.19328 Da |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
| Boiling Point | 245.00 °C. @ 760.00 mm Hg |
| Density | 0.873-0.883 |
| Refractive Index | 1.444-1.448 |
| Solubility | miscible with alcohol, ether, most fixed oils, chloroform; insoluble in water |
| SMILES | CCCC(=O)OCCC(C)CCC=C(C)C |
| InChIKey | XQPZQXTWYZAXAK-UHFFFAOYSA-N |
Product Description
Applications: Citronellyl 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).
A pharmaceutical intermediate supplied by CoreyChem, Citronellyl butyrate (CAS 141-16-2) has the molecular formula C14H26O2 and a molecular weight of 226.19 g/mol. Reported properties include a density of 0.873-0.883 g/cm³, a solubility: miscible with alcohol, ether, most fixed oils, chloroform; insoluble in water. Synonyms include Citronellyl butyrate and Rhodinyl 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 Citronellyl butyrate
Property Insights of Citronellyl butyrate
The XLogP value of 4.6 indicates that Citronellyl 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, Citronellyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citronellyl 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 Citronellyl butyrate?
The CAS number of Citronellyl butyrate is 141-16-2.
What is the molecular formula of Citronellyl butyrate?
The molecular formula of Citronellyl butyrate is C14H26O2.
What is the molecular weight of Citronellyl butyrate?
The molecular weight of Citronellyl butyrate is 226.19328 g/mol.
What are the applications of Citronellyl butyrate?
Citronellyl 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...
Where can I buy Citronellyl butyrate?
You can request a quote for Citronellyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Citronellyl butyrate?
Yes, CoreyChem provides custom synthesis services for Citronellyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.