Citronellic acid
TL;DR: Citronellic acid (CAS 502-47-6) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13068 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.13068 Da |
| 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°) |
| Refractive Index | 1.455-1.462 |
| Solubility | slightly |
| SMILES | CC(CCC=C(C)C)CC(=O)O |
| InChIKey | GJWSUKYXUMVMGX-UHFFFAOYSA-N |
Product Description
Applications: Citronellic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Citronellic acid is a pharmaceutical intermediate identified by CAS number 502-47-6 and the molecular formula C10H18O2 and a molecular weight of 170.13 g/mol. Physically, the compound has a density of 0.920-0.926 (20°) g/cm³, a solubility: slightly. Synonyms include Citronellic acid and 3,7-dimethyloct-6-enoic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 170.13068 g/mol.
What are the applications of Citronellic acid?
Citronellic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Citronellic acid?
You can request a quote for Citronellic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Citronellic acid?
Yes, CoreyChem provides custom synthesis services for Citronellic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.