Methyl 2-octynoate
TL;DR: Methyl 2-octynoate (CAS 111-12-6) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl oct-2-ynoate
Also Known As: Methyl 2-octynoate, Methyl oct-2-ynoate, Folione, Methyl heptine carbonate, Methyl 2-octynate
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.09938 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.09938 Da |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
| Boiling Point | 217.00 to 220.00 °C. @ 760.00 mm Hg |
| Density | 0.919-0.924 |
| Refractive Index | 1.443-1.449 |
| Solubility | Soluble in most fixed oils; Slightly soluble in propylene glycol; Insoluble in water, glycerin |
| SMILES | CCCCCC#CC(=O)OC |
| InChIKey | FRLZQXRXIKQFNS-UHFFFAOYSA-N |
Product Description
Applications: Methyl 2-octynoate is used in surfactant and detergent formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methyl 2-octynoate (CAS 111-12-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Methyl 2-octynoate (CAS 111-12-6) is a surfactant raw material with the molecular formula C9H14O2 and a molecular weight of 154.1 g/mol. Key physical properties include a density of 0.919-0.924 g/cm³, a solubility: Soluble in most fixed oils; Slightly soluble in propylene glycol; Insoluble in water, glycerin. It is also known as Methyl 2-octynoate and Methyl oct-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-octynoate
Property Insights of Methyl 2-octynoate
The XLogP value of 3.2 indicates that Methyl 2-octynoate 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-octynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-octynoate 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-octynoate?
The CAS number of Methyl 2-octynoate is 111-12-6.
What is the molecular formula of Methyl 2-octynoate?
The molecular formula of Methyl 2-octynoate is C9H14O2.
What is the molecular weight of Methyl 2-octynoate?
The molecular weight of Methyl 2-octynoate is 154.09938 g/mol.
What are the applications of Methyl 2-octynoate?
Methyl 2-octynoate is used in surfactant and detergent formulations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methyl 2-octynoate (CAS 111-12-6) with custom synthesis available from...
Where can I buy Methyl 2-octynoate?
You can request a quote for Methyl 2-octynoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-octynoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-octynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.