Isobutyraldehyde
TL;DR: Isobutyraldehyde (CAS 78-84-2) is a chemical compound with molecular formula C4H8O and molecular weight 72.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropanal
Also Known As: ISOBUTYRALDEHYDE, 2-Methylpropanal, Isobutanal, Isobutylaldehyde, 2-Methylpropionaldehyde
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8O |
| Molecular Weight | 72.05752 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.05752 Da |
| Heavy Atoms | 5 |
| Complexity | 30.0 |
| Melting Point | -85 °F (NTP, 1992) |
| Boiling Point | 147 °F at 760 mmHg (NTP, 1992) |
| Density | 0.791 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | -40 °F (NTP, 1992) |
| Vapor Pressure | 170 mmHg at 68 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.3730 @ 20 °C/D |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | CC(C)C=O |
| InChIKey | AMIMRNSIRUDHCM-UHFFFAOYSA-N |
Product Description
Applications: Isobutyraldehyde 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 Isobutyraldehyde (CAS 78-84-2) 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, Isobutyraldehyde (CAS 78-84-2) has the molecular formula C4H8O and a molecular weight of 72.06 g/mol. Reported properties include a density of 0.791 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). It is also known as ISOBUTYRALDEHYDE and 2-Methylpropanal.
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 Isobutyraldehyde
Property Insights of Isobutyraldehyde
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyraldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, Isobutyraldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyraldehyde has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isobutyraldehyde?
The CAS number of Isobutyraldehyde is 78-84-2.
What is the molecular formula of Isobutyraldehyde?
The molecular formula of Isobutyraldehyde is C4H8O.
What is the molecular weight of Isobutyraldehyde?
The molecular weight of Isobutyraldehyde is 72.05752 g/mol.
What are the applications of Isobutyraldehyde?
Isobutyraldehyde 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 Isobutyraldehyde (CAS 78-84-2) with...
Where can I buy Isobutyraldehyde?
You can request a quote for Isobutyraldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyraldehyde?
Yes, CoreyChem provides custom synthesis services for Isobutyraldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.