2-Methylbutyl Acetate
TL;DR: 2-Methylbutyl Acetate (CAS 624-41-9) 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-methylbutyl acetate
Also Known As: 2-METHYLBUTYL ACETATE, 2-Methyl-1-butyl acetate, 2-methyl-1-butanol acetate, p-Diiodobenzene, Acetic acid 2-methylbutyl ester
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
| Boiling Point | 138.00 °C. @ 741.00 mm Hg |
| Density | 0.872-0.877 |
| Solubility | soluble in fat; slightly soluble in water |
| Vapor Pressure | 6.34 [mmHg] |
| Refractive Index | 1.399-1.404 |
Chemical Identifiers
| CAS Number | 624-41-9 |
|---|---|
| SMILES | CCC(C)COC(=O)C |
| InChIKey | XHIUFYZDQBSEMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylbutyl Acetate (CAS 624-41-9), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: 2-methylbutyl acetate.
Chemical Property Profile of 2-Methylbutyl Acetate
Property Insights of 2-Methylbutyl Acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbutyl Acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylbutyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutyl 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-Methylbutyl Acetate?
The CAS number of 2-Methylbutyl Acetate is 624-41-9.
What is the molecular formula of 2-Methylbutyl Acetate?
The molecular formula of 2-Methylbutyl Acetate is C7H14O2.
What is the molecular weight of 2-Methylbutyl Acetate?
The molecular weight of 2-Methylbutyl Acetate is 130.10 g/mol.
Where can I buy 2-Methylbutyl Acetate?
You can request a quote for 2-Methylbutyl Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbutyl Acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbutyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.