2-Methyl-2-butanol acetate
TL;DR: 2-Methyl-2-butanol acetate (CAS 625-16-1) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbutan-2-yl acetate
Also Known As: tert-Amyl acetate, 2-methylbutan-2-yl acetate, t-Pentylacetate, T-PENTYL ACETATE, t-amyl acetate
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| Melting Point | greater than -100.0 °C |
| Boiling Point | 124.7 °C at 760 mmHg |
| Density | 0.874 at 19.0 °C - Less dense than water; will float |
| Flash Point | 26.1 °C (est) |
| Vapor Pressure | 12.1 [mmHg] |
Chemical Identifiers
| CAS Number | 625-16-1 |
|---|---|
| SMILES | CCC(C)(C)OC(=O)C |
| InChIKey | JCCIFDCPHCKATH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-2-butanol acetate (CAS 625-16-1), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: 2-methylbutan-2-yl acetate.
Chemical Property Profile of 2-Methyl-2-butanol acetate
Property Insights of 2-Methyl-2-butanol acetate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-butanol acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methyl-2-butanol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-butanol 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
Frequently Asked Questions
What is the CAS number of 2-Methyl-2-butanol acetate?
The CAS number of 2-Methyl-2-butanol acetate is 625-16-1.
What is the molecular formula of 2-Methyl-2-butanol acetate?
The molecular formula of 2-Methyl-2-butanol acetate is C7H14O2.
What is the molecular weight of 2-Methyl-2-butanol acetate?
The molecular weight of 2-Methyl-2-butanol acetate is 130.10 g/mol.
Where can I buy 2-Methyl-2-butanol acetate?
You can request a quote for 2-Methyl-2-butanol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-butanol acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-butanol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.