Butyl 2-methyl butyrate
TL;DR: Butyl 2-methyl butyrate (CAS 15706-73-7) 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.
butyl 2-methylbutanoate
Also Known As: Butyl 2-methylbutyrate, Butyl 2-methylbutanoate, n-butyl 2-methylbutyrate, butyl 2-methyl butyrate, Butanoic acid, 2-methyl-, butyl ester
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13068 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 Da |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
| Boiling Point | 179.00 °C. @ 760.00 mm Hg |
| Density | 0.856-0.866 |
| Refractive Index | 1.402-1.500 |
| SMILES | CCCCOC(=O)C(C)CC |
| InChIKey | OTKQNSSMCDLVQV-UHFFFAOYSA-N |
Chemical Property Profile of Butyl 2-methyl butyrate
Property Insights of Butyl 2-methyl butyrate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-methyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 2-methyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-methyl butyrate 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 Butyl 2-methyl butyrate?
The CAS number of Butyl 2-methyl butyrate is 15706-73-7.
What is the molecular formula of Butyl 2-methyl butyrate?
The molecular formula of Butyl 2-methyl butyrate is C9H18O2.
What is the molecular weight of Butyl 2-methyl butyrate?
The molecular weight of Butyl 2-methyl butyrate is 158.13068 g/mol.
Where can I buy Butyl 2-methyl butyrate?
You can request a quote for Butyl 2-methyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl 2-methyl butyrate?
Yes, CoreyChem provides custom synthesis services for Butyl 2-methyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.