Linalyl Acetate
TL;DR: Linalyl Acetate (CAS 115-95-7) 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.
乙酸芳樟酯
3,7-dimethylocta-1,6-dien-3-yl acetate
Also Known As: LINALYL ACETATE, Bergamiol, Linalool acetate, Bergamol, Lynalyl 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 | 3.3 |
| 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 | 237.0 |
| Melting Point | < 25 °C |
| Boiling Point | 221 °C |
| Density | 0.895 g/cu cm at 20 °C |
| Flash Point | 94 °C (201 °F) - closed cup |
| Vapor Pressure | 0.11 [mmHg] |
| Refractive Index | Index of refraction: 1.4500 at 20 °C (natural); 1.4495-1.4512 at 20 °C (synthetic); optical rotation: -7 deg 42 min to +8 deg 18 min (natural); + or - 0 deg (synthetic) |
| Solubility | Insoluble in water |
| SMILES | CC(=CCCC(C)(C=C)OC(=O)C)C |
| InChIKey | UWKAYLJWKGQEPM-UHFFFAOYSA-N |
Product Description
Applications: Linalyl 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, Linalyl Acetate (CAS 115-95-7) has the molecular formula C12H20O2 and a molecular weight of 196.15 g/mol. Reported properties include a density of 0.895 g/cu cm at 20 °C g/cm³, a solubility: Insoluble in water. Synonyms include LINALYL ACETATE and Bergamiol.
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 Acetate
Property Insights of Linalyl Acetate
The XLogP value of 3.3 indicates that Linalyl 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, Linalyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Linalyl 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 Linalyl Acetate?
The CAS number of Linalyl Acetate is 115-95-7.
What is the molecular formula of Linalyl Acetate?
The molecular formula of Linalyl Acetate is C12H20O2.
What is the molecular weight of Linalyl Acetate?
The molecular weight of Linalyl Acetate is 196.14633 g/mol.
What are the applications of Linalyl Acetate?
Linalyl 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),...
Where can I buy Linalyl Acetate?
You can request a quote for Linalyl Acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Linalyl Acetate?
Yes, CoreyChem provides custom synthesis services for Linalyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.