Isobutyl butyrate
TL;DR: Isobutyl butyrate (CAS 539-90-2) 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.
2-methylpropyl butanoate
Also Known As: Isobutyl butyrate, Isobutyl butanoate, 2-Methylpropyl butanoate, Isobutyl n-butyrate, Isobutyl-n-butyrate
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 | 2.3 |
| 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 | 156.90 °C. @ 760.00 mm Hg |
| Density | 0.858-0.863 |
| Refractive Index | 1.402-1.405 |
| Solubility | soluble in most fixed oils; slightly soluble in water; insoluble in glycerol |
| SMILES | CCCC(=O)OCC(C)C |
| InChIKey | RGFNRWTWDWVHDD-UHFFFAOYSA-N |
Product Description
Applications: Isobutyl butyrate is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. 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).
Isobutyl butyrate is a organic building block identified by CAS number 539-90-2 and the molecular formula C8H16O2 and a molecular weight of 144.12 g/mol. Physically, the compound has a density of 0.858-0.863 g/cm³, a solubility: soluble in most fixed oils; slightly soluble in water; insoluble in glycerol. Synonyms include Isobutyl butyrate and Isobutyl butanoate.
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 Isobutyl butyrate
Property Insights of Isobutyl butyrate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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 Isobutyl butyrate?
The CAS number of Isobutyl butyrate is 539-90-2.
What is the molecular formula of Isobutyl butyrate?
The molecular formula of Isobutyl butyrate is C8H16O2.
What is the molecular weight of Isobutyl butyrate?
The molecular weight of Isobutyl butyrate is 144.11504 g/mol.
What are the applications of Isobutyl butyrate?
Isobutyl butyrate is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Isobutyl butyrate?
You can request a quote for Isobutyl butyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl butyrate?
Yes, CoreyChem provides custom synthesis services for Isobutyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.