Citronellic acid
TL;DR: Citronellic acid (CAS 502-47-6) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethyloct-6-enoic acid
Also Known As: Citronellic acid, 3,7-dimethyloct-6-enoic acid, Rhodinolic acid, Rhodinic Acid, 3,7-Dimethyl-6-octenoic acid
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| Melting Point | 257 °C |
| Boiling Point | 121.00 to 122.00 °C. @ 1.00 mm Hg |
| Density | 0.920-0.926 (20°) |
| Solubility | slightly |
| Refractive Index | 1.455-1.462 |
Chemical Identifiers
| CAS Number | 502-47-6 |
|---|---|
| SMILES | CC(CCC=C(C)C)CC(=O)O |
| InChIKey | GJWSUKYXUMVMGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Citronellic acid (CAS 502-47-6), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 3,7-dimethyloct-6-enoic acid.
Chemical Property Profile of Citronellic acid
Property Insights of Citronellic acid
The XLogP value of 3.0 indicates that Citronellic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Citronellic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Citronellic acid has 1 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 Citronellic acid?
The CAS number of Citronellic acid is 502-47-6.
What is the molecular formula of Citronellic acid?
The molecular formula of Citronellic acid is C10H18O2.
What is the molecular weight of Citronellic acid?
The molecular weight of Citronellic acid is 170.13 g/mol.
Where can I buy Citronellic acid?
You can request a quote for Citronellic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Citronellic acid?
Yes, KEHONG BIO provides custom synthesis services for Citronellic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.