Linalyl octanoate
TL;DR: Linalyl octanoate (CAS 10024-64-3) is a chemical compound with molecular formula C18H32O2 and molecular weight 280.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-1,6-dien-3-yl octanoate
Also Known As: Linalyl octanoate, Linalyl caprylate, Linalyl octoate, Linalylcaprylat, 3,7-dimethylocta-1,6-dien-3-yl octanoate
| Molecular Formula | C18H32O2 |
|---|---|
| Molecular Weight | 280.24 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 280.24023 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
| Density | 0.877-0.883 |
| Solubility | insoluble in water; soluble in alcohol |
| Refractive Index | 1.454-1.460 |
Chemical Identifiers
| CAS Number | 10024-64-3 |
|---|---|
| SMILES | CCCCCCCC(=O)OC(C)(CCC=C(C)C)C=C |
| InChIKey | OJKMRECJBIPPRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Linalyl octanoate (CAS 10024-64-3), with molecular formula C18H32O2 and molecular weight 280.24 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-yl octanoate.
Chemical Property Profile of Linalyl octanoate
Property Insights of Linalyl octanoate
The XLogP value of 6.3 indicates that Linalyl octanoate 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 octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Linalyl octanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Linalyl octanoate?
The CAS number of Linalyl octanoate is 10024-64-3.
What is the molecular formula of Linalyl octanoate?
The molecular formula of Linalyl octanoate is C18H32O2.
What is the molecular weight of Linalyl octanoate?
The molecular weight of Linalyl octanoate is 280.24 g/mol.
Where can I buy Linalyl octanoate?
You can request a quote for Linalyl octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Linalyl octanoate?
Yes, KEHONG BIO provides custom synthesis services for Linalyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.