丙酸香茅酯
TL;DR: 丙酸香茅酯 (CAS 141-14-0) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙酸香茅酯
3,7-dimethyloct-6-enyl propanoate
Also Known As: Citronellyl propionate, Citronellyl propanoate, 3,7-dimethyloct-6-enyl propanoate, citronellylpropionate, Citronellyl propianoate
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
| Density | 0.877-0.886 |
| Solubility | miscible with alcohol, most fixed oils; insoluble in water |
| Refractive Index | 1.443-1.449 |
Chemical Identifiers
| CAS Number | 141-14-0 |
|---|---|
| SMILES | CCC(=O)OCCC(C)CCC=C(C)C |
| InChIKey | POPNTVRHTZDEBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙酸香茅酯 (CAS 141-14-0), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: 3,7-dimethyloct-6-enyl propanoate.
Chemical Property Profile of 丙酸香茅酯
Property Insights of 丙酸香茅酯
The XLogP value of 4.2 indicates that 丙酸香茅酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 丙酸香茅酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙酸香茅酯 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 丙酸香茅酯?
The CAS number of 丙酸香茅酯 is 141-14-0.
What is the molecular formula of 丙酸香茅酯?
The molecular formula of 丙酸香茅酯 is C13H24O2.
What is the molecular weight of 丙酸香茅酯?
The molecular weight of 丙酸香茅酯 is 212.18 g/mol.
Where can I buy 丙酸香茅酯?
You can request a quote for 丙酸香茅酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙酸香茅酯?
Yes, KEHONG BIO provides custom synthesis services for 丙酸香茅酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.