Methyl 2-nonynoate
TL;DR: Methyl 2-nonynoate (CAS 111-80-8) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl non-2-ynoate
Also Known As: Methyl 2-nonynoate, Methyl non-2-ynoate, Methyl octine carbonate, Methyloctyne carbonate, Methyl octyne carbonate
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.11504 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.11504 Da |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
| Boiling Point | 121.00 to 122.00 °C. @ 20.00 mm Hg |
| Density | 0.913-0.916 |
| Refractive Index | 1.445-1.451 |
| Solubility | Soluble in oils; Insoluble in water |
| SMILES | CCCCCCC#CC(=O)OC |
| InChIKey | NTLJTUMJJWVCTL-UHFFFAOYSA-N |
Product Description
Applications: Methyl 2-nonynoate is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. 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).
Methyl 2-nonynoate (CAS 111-80-8) is a pharmaceutical intermediate with the molecular formula C10H16O2 and a molecular weight of 168.12 g/mol. Key physical properties include a density of 0.913-0.916 g/cm³, a solubility: Soluble in oils; Insoluble in water. Synonyms include Methyl 2-nonynoate and Methyl non-2-ynoate.
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 Methyl 2-nonynoate
Property Insights of Methyl 2-nonynoate
The XLogP value of 3.7 indicates that Methyl 2-nonynoate 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 2-nonynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-nonynoate 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
What is the CAS number of Methyl 2-nonynoate?
The CAS number of Methyl 2-nonynoate is 111-80-8.
What is the molecular formula of Methyl 2-nonynoate?
The molecular formula of Methyl 2-nonynoate is C10H16O2.
What is the molecular weight of Methyl 2-nonynoate?
The molecular weight of Methyl 2-nonynoate is 168.11504 g/mol.
What are the applications of Methyl 2-nonynoate?
Methyl 2-nonynoate is used in pharmaceutical synthesis routes and API production, as well as surfactant and detergent formulations. 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...
Where can I buy Methyl 2-nonynoate?
You can request a quote for Methyl 2-nonynoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-nonynoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-nonynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.