Butanal
TL;DR: Butanal (CAS 123-72-8) 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.
butanal
Also Known As: butyraldehyde, butanal, n-butyraldehyde, Butyral, Butanaldehyde
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 | 0.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 72.05752 Da |
| Heavy Atoms | 5 |
| Complexity | 24.0 |
| Melting Point | -146 °F (NTP, 1992) |
| Boiling Point | 167 °F at 760 mmHg (NTP, 1992) |
| Density | 0.803 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 20 °F (NTP, 1992) |
| Vapor Pressure | 91.5 mmHg at 68 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.3843 at 20 °C |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | CCCC=O |
| InChIKey | ZTQSAGDEMFDKMZ-UHFFFAOYSA-N |
Product Description
Applications: Butanal 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Butanal is a heterocyclic building block identified by CAS number 123-72-8 and the molecular formula C4H8O and a molecular weight of 72.06 g/mol. Physically, the compound has a density of 0.803 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). Synonyms include butyraldehyde and butanal.
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 Butanal
Property Insights of Butanal
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanal. With a topological polar surface area (TPSA) of 17.1 Ų, Butanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanal 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 Butanal?
The CAS number of Butanal is 123-72-8.
What is the molecular formula of Butanal?
The molecular formula of Butanal is C4H8O.
What is the molecular weight of Butanal?
The molecular weight of Butanal is 72.05752 g/mol.
What are the applications of Butanal?
Butanal 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. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Butanal?
You can request a quote for Butanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanal?
Yes, CoreyChem provides custom synthesis services for Butanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.