Isobutyl Acetate
TL;DR: Isobutyl Acetate (CAS 110-19-0) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl acetate
Also Known As: ISOBUTYL ACETATE, 2-Methylpropyl acetate, Isobutyl ethanoate, 2-Methylpropyl ethanoate, Isobutylacetat
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08373 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.08373 Da |
| Heavy Atoms | 8 |
| Complexity | 76.0 |
| Melting Point | -142.8 °F (USCG, 1999) |
| Boiling Point | 243.1 °F at 760 mmHg (USCG, 1999) |
| Density | 0.871 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 62 °F (USCG, 1999) |
| Vapor Pressure | 20.68 mmHg (USCG, 1999) |
| Refractive Index | Index of refraction: 1.3902 at 20 °C |
| Solubility | 0.6 % at 77 °F (NIOSH, 2024) |
| SMILES | CC(C)COC(=O)C |
| InChIKey | GJRQTCIYDGXPES-UHFFFAOYSA-N |
Product Description
Applications: Isobutyl Acetate is used in polymer chemistry and functional materials synthesis, 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).
Isobutyl Acetate is a polymer intermediate identified by CAS number 110-19-0 and the molecular formula C6H12O2 and a molecular weight of 116.08 g/mol. Physically, the compound has a density of 0.871 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 0.6 % at 77 °F (NIOSH, 2024). Synonyms include ISOBUTYL ACETATE and 2-Methylpropyl acetate.
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 Acetate
Property Insights of Isobutyl Acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl Acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Isobutyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl Acetate 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 Acetate?
The CAS number of Isobutyl Acetate is 110-19-0.
What is the molecular formula of Isobutyl Acetate?
The molecular formula of Isobutyl Acetate is C6H12O2.
What is the molecular weight of Isobutyl Acetate?
The molecular weight of Isobutyl Acetate is 116.08373 g/mol.
What are the applications of Isobutyl Acetate?
Isobutyl Acetate is used in polymer chemistry and functional materials synthesis, 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...
Where can I buy Isobutyl Acetate?
You can request a quote for Isobutyl Acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl Acetate?
Yes, CoreyChem provides custom synthesis services for Isobutyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.