Isobutyl isobutyrate
TL;DR: Isobutyl isobutyrate (CAS 97-85-8) 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 2-methylpropanoate
Also Known As: Isobutyl isobutyrate, Isobutyl isobutanoate, 2-Methylpropyl 2-methylpropanoate, Isobutyl 2-methylpropanoate, Isobutylisobutyrate
Application Areas
Top 5 of 22 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 | 4 |
| Exact Mass | 144.11504 Da |
| Heavy Atoms | 10 |
| Complexity | 106.0 |
| Melting Point | -113.3 °F (USCG, 1999) |
| Boiling Point | 299.7 °F at 760 mmHg (USCG, 1999) |
| Density | 0.853 to 0.857 at 68 °F (USCG, 1999) |
| Flash Point | 99 °F (USCG, 1999) |
| Vapor Pressure | 4.33 [mmHg] |
| Refractive Index | INDEX OF REFRACTION: 1.3999 @ 20 °C/D |
| Solubility | 0.5 G PER 100 ML WATER |
| SMILES | CC(C)COC(=O)C(C)C |
| InChIKey | RXGUIWHIADMCFC-UHFFFAOYSA-N |
Product Description
Applications: Isobutyl isobutyrate is used in polymer chemistry and functional materials synthesis, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyl isobutyrate (CAS 97-85-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A polymer intermediate supplied by CoreyChem, Isobutyl isobutyrate (CAS 97-85-8) has the molecular formula C8H16O2 and a molecular weight of 144.12 g/mol. Reported properties include a density of 0.853 to 0.857 at 68 °F (USCG, 1999) g/cm³, a solubility: 0.5 G PER 100 ML WATER. It is also known as Isobutyl isobutyrate and Isobutyl isobutanoate.
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 isobutyrate
Property Insights of Isobutyl isobutyrate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl isobutyrate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl isobutyrate 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 isobutyrate?
The CAS number of Isobutyl isobutyrate is 97-85-8.
What is the molecular formula of Isobutyl isobutyrate?
The molecular formula of Isobutyl isobutyrate is C8H16O2.
What is the molecular weight of Isobutyl isobutyrate?
The molecular weight of Isobutyl isobutyrate is 144.11504 g/mol.
What are the applications of Isobutyl isobutyrate?
Isobutyl isobutyrate is used in polymer chemistry and functional materials synthesis, as well as surfactant and detergent formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Isobutyl isobutyrate (CAS 97-85-8) with custom synthesis available...
Where can I buy Isobutyl isobutyrate?
You can request a quote for Isobutyl isobutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl isobutyrate?
Yes, CoreyChem provides custom synthesis services for Isobutyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.