Pivalic acid
TL;DR: Pivalic acid (CAS 75-98-9) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethylpropanoic acid
Also Known As: Pivalic acid, Trimethylacetic acid, Neopentanoic acid, 2,2-Dimethylpropionic acid, 2,2-DIMETHYLPROPANOIC ACID
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.06808 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 102.06808 Da |
| Heavy Atoms | 7 |
| Complexity | 78.0 |
| Melting Point | 91 to 95 °F (USCG, 1999) |
| Boiling Point | 325 to 327 °F at 760 mmHg (USCG, 1999) |
| Density | 0.905 at 122 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 147.2 °F (USCG, 1999) |
| Vapor Pressure | 1.82 [mmHg] |
| Refractive Index | Index of refraction: 1.3931 at 36.5 °C/D |
| Solubility | Very soluble in ethanol, ethyl ether |
| SMILES | CC(C)(C)C(=O)O |
| InChIKey | IUGYQRQAERSCNH-UHFFFAOYSA-N |
Product Description
Applications: Pivalic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pivalic acid (CAS 75-98-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Pivalic acid (CAS 75-98-9) has the molecular formula C5H10O2 and a molecular weight of 102.07 g/mol. Reported properties include a density of 0.905 at 122 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Very soluble in ethanol, ethyl ether. It is also known as Pivalic acid and Trimethylacetic acid.
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 Pivalic acid
Property Insights of Pivalic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pivalic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Pivalic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pivalic acid has 1 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 Pivalic acid?
The CAS number of Pivalic acid is 75-98-9.
What is the molecular formula of Pivalic acid?
The molecular formula of Pivalic acid is C5H10O2.
What is the molecular weight of Pivalic acid?
The molecular weight of Pivalic acid is 102.06808 g/mol.
What are the applications of Pivalic acid?
Pivalic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pivalic acid (CAS 75-98-9) with custom...
Where can I buy Pivalic acid?
You can request a quote for Pivalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pivalic acid?
Yes, CoreyChem provides custom synthesis services for Pivalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.