Linalyl isobutyrate
TL;DR: Linalyl isobutyrate (CAS 78-35-3) 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-1,6-dien-3-yl 2-methylpropanoate
Also Known As: Linalyl isobutyrate, Linalool isobutyrate, Linalylisobutyrate, Linalool, isobutyrate, linalylisobutyrat
Application Areas
Top 5 of 9 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 | 7 |
| Exact Mass | 224.17763 Da |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| Melting Point | < 25 °C |
| Boiling Point | 228.00 to 230.00 °C. @ 760.00 mm Hg |
| Density | 0.882-0.888 |
| Refractive Index | 1.446-1.451 |
| Solubility | 10 mg/L @ 20 °C (exp) |
| SMILES | CC(C)C(=O)OC(C)(CCC=C(C)C)C=C |
| InChIKey | JZIARAQCPRDGAC-UHFFFAOYSA-N |
Product Description
Applications: Linalyl isobutyrate 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. 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, Linalyl isobutyrate (CAS 78-35-3) has the molecular formula C14H24O2 and a molecular weight of 224.18 g/mol. Reported properties include a density of 0.882-0.888 g/cm³, a solubility: 10 mg/L @ 20 °C (exp). Synonyms include Linalyl isobutyrate and Linalool isobutyrate.
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 Linalyl isobutyrate
Property Insights of Linalyl isobutyrate
The XLogP value of 4.3 indicates that Linalyl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Linalyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Linalyl isobutyrate 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 Linalyl isobutyrate?
The CAS number of Linalyl isobutyrate is 78-35-3.
What is the molecular formula of Linalyl isobutyrate?
The molecular formula of Linalyl isobutyrate is C14H24O2.
What is the molecular weight of Linalyl isobutyrate?
The molecular weight of Linalyl isobutyrate is 224.17763 g/mol.
What are the applications of Linalyl isobutyrate?
Linalyl isobutyrate 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton...
Where can I buy Linalyl isobutyrate?
You can request a quote for Linalyl isobutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Linalyl isobutyrate?
Yes, CoreyChem provides custom synthesis services for Linalyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.