6-Methyloctanoic acid
TL;DR: 6-Methyloctanoic acid (CAS 504-99-4) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyloctanoic acid
Also Known As: 6-methyloctanoic acid, isopelargonic acid, Anteisononanoic acid, 6-methyl caprylic acid, 6-methyl-octanoic acid
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13068 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 Da |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
| SMILES | CCC(C)CCCCC(=O)O |
| InChIKey | GPOPHQSTNHUENT-UHFFFAOYSA-N |
Product Description
Applications: 6-Methyloctanoic acid is used in specialty chemical manufacturing and formulation, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 6-Methyloctanoic acid (CAS 504-99-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A specialty chemical supplied by CoreyChem, 6-Methyloctanoic acid (CAS 504-99-4) has the molecular formula C9H18O2 and a molecular weight of 158.13 g/mol. It is also known as 6-methyloctanoic acid and isopelargonic 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 6-Methyloctanoic acid
Property Insights of 6-Methyloctanoic acid
The XLogP value of 3.0 indicates that 6-Methyloctanoic 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, 6-Methyloctanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyloctanoic 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 6-Methyloctanoic acid?
The CAS number of 6-Methyloctanoic acid is 504-99-4.
What is the molecular formula of 6-Methyloctanoic acid?
The molecular formula of 6-Methyloctanoic acid is C9H18O2.
What is the molecular weight of 6-Methyloctanoic acid?
The molecular weight of 6-Methyloctanoic acid is 158.13068 g/mol.
What are the applications of 6-Methyloctanoic acid?
6-Methyloctanoic acid is used in specialty chemical manufacturing and formulation, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 6-Methyloctanoic acid (CAS 504-99-4)...
Where can I buy 6-Methyloctanoic acid?
You can request a quote for 6-Methyloctanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methyloctanoic acid?
Yes, CoreyChem provides custom synthesis services for 6-Methyloctanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.