Sec-Butyl acetate
TL;DR: Sec-Butyl acetate (CAS 105-46-4) 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.
butan-2-yl acetate
Also Known As: SEC-BUTYL ACETATE, dl-sec-Butyl acetate, 2-Butyl acetate, butan-2-yl acetate, sec-Butyl ethanoate
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 | 1.7 |
| 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 | 78.0 |
| Melting Point | -100 °F (USCG, 1999) |
| Boiling Point | 234 °F at 760 mmHg (USCG, 1999) |
| Density | 0.872 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 62 °F (USCG, 1999) |
| Vapor Pressure | 51.7 mmHg (USCG, 1999) |
| Refractive Index | Index of refraction: 1.3888 at 20 °C |
| Solubility | 0.8 % (NIOSH, 2024) |
| SMILES | CCC(C)OC(=O)C |
| InChIKey | DCKVNWZUADLDEH-UHFFFAOYSA-N |
Product Description
Applications: Sec-Butyl acetate 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. CoreyChem supplies Sec-Butyl acetate (CAS 105-46-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Sec-Butyl acetate (CAS 105-46-4) is a organic building block with the molecular formula C6H12O2 and a molecular weight of 116.08 g/mol. Key physical properties include a density of 0.872 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 0.8 % (NIOSH, 2024). It is also known as SEC-BUTYL ACETATE and dl-sec-Butyl 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 Sec-Butyl acetate
Property Insights of Sec-Butyl acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sec-Butyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Sec-Butyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sec-Butyl 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 Sec-Butyl acetate?
The CAS number of Sec-Butyl acetate is 105-46-4.
What is the molecular formula of Sec-Butyl acetate?
The molecular formula of Sec-Butyl acetate is C6H12O2.
What is the molecular weight of Sec-Butyl acetate?
The molecular weight of Sec-Butyl acetate is 116.08373 g/mol.
What are the applications of Sec-Butyl acetate?
Sec-Butyl acetate 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. CoreyChem supplies Sec-Butyl acetate (CAS 105-46-4) with...
Where can I buy Sec-Butyl acetate?
You can request a quote for Sec-Butyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sec-Butyl acetate?
Yes, CoreyChem provides custom synthesis services for Sec-Butyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.