Methyl rhodinolate
TL;DR: Methyl rhodinolate (CAS 2270-60-2) 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.
methyl 3,7-dimethyloct-6-enoate
Also Known As: Methyl citronellate, Methyl rhodinolate, Methyl 3,7-dimethyloct-6-enoate, Citronellic acid, methyl ester, FEMA No. 3361
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
| Boiling Point | 216.00 °C. @ 760.00 mm Hg |
| Density | 0.897-0.907 |
| Solubility | very slightly |
| Refractive Index | 1.437-1.443 |
Chemical Identifiers
| CAS Number | 2270-60-2 |
|---|---|
| SMILES | CC(CCC=C(C)C)CC(=O)OC |
| InChIKey | ZFLPOPCZMXGUOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl rhodinolate (CAS 2270-60-2), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: methyl 3,7-dimethyloct-6-enoate.
Chemical Property Profile of Methyl rhodinolate
Property Insights of Methyl rhodinolate
The XLogP value of 3.3 indicates that Methyl rhodinolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl rhodinolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl rhodinolate 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 Methyl rhodinolate?
The CAS number of Methyl rhodinolate is 2270-60-2.
What is the molecular formula of Methyl rhodinolate?
The molecular formula of Methyl rhodinolate is C11H20O2.
What is the molecular weight of Methyl rhodinolate?
The molecular weight of Methyl rhodinolate is 184.15 g/mol.
Where can I buy Methyl rhodinolate?
You can request a quote for Methyl rhodinolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl rhodinolate?
Yes, KEHONG BIO provides custom synthesis services for Methyl rhodinolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.