Isoamyl propionate
TL;DR: Isoamyl propionate (CAS 105-68-0) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylbutyl propanoate
Also Known As: Isoamyl propionate, 3-Methylbutyl propanoate, Isopentyl propanoate, Isopentyl propionate, ISOAMYL PROPANOATE
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.11504 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 Da |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
| Boiling Point | 159.00 to 161.00 °C. @ 760.00 mm Hg |
| Density | 0.866-0.871 |
| Refractive Index | 1.405-1.409 |
| Solubility | Soluble in ethanol and most fixed oils, insoluble in glycerol, propylene glycol and water |
| SMILES | CCC(=O)OCCC(C)C |
| InChIKey | XAOGXQMKWQFZEM-UHFFFAOYSA-N |
Product Description
Applications: Isoamyl propionate is used in complex organic molecule assembly across discovery and process chemistry, 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).
A organic building block supplied by CoreyChem, Isoamyl propionate (CAS 105-68-0) has the molecular formula C8H16O2 and a molecular weight of 144.12 g/mol. Reported properties include a density of 0.866-0.871 g/cm³, a solubility: Soluble in ethanol and most fixed oils, insoluble in glycerol, propylene glycol and water. Synonyms include Isoamyl propionate and 3-Methylbutyl propanoate.
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 Isoamyl propionate
Property Insights of Isoamyl propionate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamyl propionate. With a topological polar surface area (TPSA) of 26.3 Ų, Isoamyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl propionate 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 Isoamyl propionate?
The CAS number of Isoamyl propionate is 105-68-0.
What is the molecular formula of Isoamyl propionate?
The molecular formula of Isoamyl propionate is C8H16O2.
What is the molecular weight of Isoamyl propionate?
The molecular weight of Isoamyl propionate is 144.11504 g/mol.
What are the applications of Isoamyl propionate?
Isoamyl propionate is used in complex organic molecule assembly across discovery and process chemistry, 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...
Where can I buy Isoamyl propionate?
You can request a quote for Isoamyl propionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoamyl propionate?
Yes, CoreyChem provides custom synthesis services for Isoamyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.