2,3-Dimethylbutyl acetate
TL;DR: 2,3-Dimethylbutyl acetate (CAS 71412-26-5) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethylbutyl acetate
Also Known As: 2,3-Dimethylbutyl acetate, EINECS 275-432-8, 2,3-Dimethyl-1-butanol acetate, 1-Butanol,2,3-dimethyl-, 1-acetate
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 1.8416 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 107.82522 |
Chemical Identifiers
| CAS Number | 71412-26-5 |
|---|---|
| SMILES | CC(C)C(C)COC(=O)C |
Product Overview
2,3-Dimethylbutyl acetate (CAS 71412-26-5), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 2,3-dimethylbutyl acetate.
Chemical Property Profile of 2,3-Dimethylbutyl acetate
Property Insights of 2,3-Dimethylbutyl acetate
The XLogP value of 1.8416 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethylbutyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,3-Dimethylbutyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethylbutyl 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 2,3-Dimethylbutyl acetate?
The CAS number of 2,3-Dimethylbutyl acetate is 71412-26-5.
What is the molecular formula of 2,3-Dimethylbutyl acetate?
The molecular formula of 2,3-Dimethylbutyl acetate is C8H16O2.
What is the molecular weight of 2,3-Dimethylbutyl acetate?
The molecular weight of 2,3-Dimethylbutyl acetate is 144.12 g/mol.
Where can I buy 2,3-Dimethylbutyl acetate?
You can request a quote for 2,3-Dimethylbutyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethylbutyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylbutyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.