Linalyl propionate
TL;DR: Linalyl propionate (CAS 144-39-8) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 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 propanoate
Also Known As: Linalyl propionate, Linalyl propanoate, Linalool propionate, linalyl proionate, 3,7-dimethylocta-1,6-dien-3-yl propanoate
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
| Boiling Point | 115.00 °C. @ 10.00 mm Hg |
| Density | 0.893-0.902 |
| Solubility | 17 mg/L @ 20 °C (exp) |
| Refractive Index | 1.449-1.454 |
Chemical Identifiers
| CAS Number | 144-39-8 |
|---|---|
| SMILES | CCC(=O)OC(C)(CCC=C(C)C)C=C |
| InChIKey | WAQIIHCCEMGYKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Linalyl propionate (CAS 144-39-8), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-yl propanoate.
Chemical Property Profile of Linalyl propionate
Property Insights of Linalyl propionate
The XLogP value of 3.8 indicates that Linalyl propionate 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 propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Linalyl propionate 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
Frequently Asked Questions
What is the CAS number of Linalyl propionate?
The CAS number of Linalyl propionate is 144-39-8.
What is the molecular formula of Linalyl propionate?
The molecular formula of Linalyl propionate is C13H22O2.
What is the molecular weight of Linalyl propionate?
The molecular weight of Linalyl propionate is 210.16 g/mol.
Where can I buy Linalyl propionate?
You can request a quote for Linalyl propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Linalyl propionate?
Yes, KEHONG BIO provides custom synthesis services for Linalyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.