Propyl isovalerate
TL;DR: Propyl isovalerate (CAS 557-00-6) 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.
propyl 3-methylbutanoate
Also Known As: PROPYL ISOVALERATE, Propyl 3-methylbutanoate, Propyl isopentanoate, Propyl 3-methylbutyrate, Propyl isovalerianate
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.11504 g/mol |
| XLogP | 2.3 |
| 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 | 156.00 to 157.00 °C. @ 760.00 mm Hg |
| Density | 0.860 - 0.866 |
| Refractive Index | 1.400 - 1.405 |
| Solubility | soluble in organic solvents, alcohol; insoluble in water |
| SMILES | CCCOC(=O)CC(C)C |
| InChIKey | LSJMDWFAADPNAX-UHFFFAOYSA-N |
Product Description
Applications: Propyl isovalerate is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. 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).
Propyl isovalerate (CAS 557-00-6) is a organic building block with the molecular formula C8H16O2 and a molecular weight of 144.12 g/mol. Key physical properties include a density of 0.860 - 0.866 g/cm³, a solubility: soluble in organic solvents, alcohol; insoluble in water. Synonyms include PROPYL ISOVALERATE and Propyl 3-methylbutanoate.
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 Propyl isovalerate
Property Insights of Propyl isovalerate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl isovalerate. With a topological polar surface area (TPSA) of 26.3 Ų, Propyl isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl isovalerate 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 Propyl isovalerate?
The CAS number of Propyl isovalerate is 557-00-6.
What is the molecular formula of Propyl isovalerate?
The molecular formula of Propyl isovalerate is C8H16O2.
What is the molecular weight of Propyl isovalerate?
The molecular weight of Propyl isovalerate is 144.11504 g/mol.
What are the applications of Propyl isovalerate?
Propyl isovalerate is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Propyl isovalerate?
You can request a quote for Propyl isovalerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propyl isovalerate?
Yes, CoreyChem provides custom synthesis services for Propyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.