甲酸香茅酯
TL;DR: 甲酸香茅酯 (CAS 105-85-1) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲酸香茅酯
3,7-dimethyloct-6-enyl formate
Also Known As: Citronellyl formate, 3,7-dimethyloct-6-en-1-yl formate, Rhodinyl formate, Citronellol formate, Citronellyl methanoate
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 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 | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
| Boiling Point | 235.00 °C. @ 760.00 mm Hg |
| Density | 0.890-0.903 |
| Solubility | soluble in alcohol, most fixed oils; slightly soluble in propylene glycol; insoluble in glycerin, water |
| Refractive Index | 1.443-1.452 |
Chemical Identifiers
| CAS Number | 105-85-1 |
|---|---|
| SMILES | CC(CCC=C(C)C)CCOC=O |
| InChIKey | DZNVIZQPWLDQHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲酸香茅酯 (CAS 105-85-1), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 3,7-dimethyloct-6-enyl formate.
Chemical Property Profile of 甲酸香茅酯
Property Insights of 甲酸香茅酯
The XLogP value of 3.8 indicates that 甲酸香茅酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 甲酸香茅酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲酸香茅酯 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 甲酸香茅酯?
The CAS number of 甲酸香茅酯 is 105-85-1.
What is the molecular formula of 甲酸香茅酯?
The molecular formula of 甲酸香茅酯 is C11H20O2.
What is the molecular weight of 甲酸香茅酯?
The molecular weight of 甲酸香茅酯 is 184.15 g/mol.
Where can I buy 甲酸香茅酯?
You can request a quote for 甲酸香茅酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲酸香茅酯?
Yes, KEHONG BIO provides custom synthesis services for 甲酸香茅酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.