Methyl pivalate
TL;DR: Methyl pivalate (CAS 598-98-1) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-dimethylpropanoate
Also Known As: Methyl pivalate, Methyl trimethylacetate, methyl 2,2-dimethylpropanoate, methyl pivaloate, Pivalic acid, methyl ester
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 89.0 |
| Vapor Pressure | 33.9 [mmHg] |
Chemical Identifiers
| CAS Number | 598-98-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC |
| InChIKey | CNMFHDIDIMZHKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl pivalate (CAS 598-98-1), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: methyl 2,2-dimethylpropanoate.
Chemical Property Profile of Methyl pivalate
Property Insights of Methyl pivalate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl pivalate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl pivalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl pivalate 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 Methyl pivalate?
The CAS number of Methyl pivalate is 598-98-1.
What is the molecular formula of Methyl pivalate?
The molecular formula of Methyl pivalate is C6H12O2.
What is the molecular weight of Methyl pivalate?
The molecular weight of Methyl pivalate is 116.08 g/mol.
Where can I buy Methyl pivalate?
You can request a quote for Methyl pivalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl pivalate?
Yes, KEHONG BIO provides custom synthesis services for Methyl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.