2-Ethylbutyraldehyde
TL;DR: 2-Ethylbutyraldehyde (CAS 97-96-1) is a chemical compound with molecular formula C6H12O and molecular weight 100.08881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylbutanal
Also Known As: 2-Ethylbutanal, 2-ETHYLBUTYRALDEHYDE, Diethylacetaldehyde, Butanal, 2-ethyl-, 3-Formylpentane
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O |
| Molecular Weight | 100.08881 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 100.08881 Da |
| Heavy Atoms | 7 |
| Complexity | 46.0 |
| Melting Point | -89 °C |
| Boiling Point | 116.00 to 117.00 °C. @ 760.00 mm Hg |
| Density | 0.808-0.814 |
| Flash Point | 70 °F (NFPA, 2010) |
| Refractive Index | 1.400-1.405 |
| Solubility | miscible with alcohol, ether; soluble in water 1 ml in 50 ml |
| SMILES | CCC(CC)C=O |
| InChIKey | UNNGUFMVYQJGTD-UHFFFAOYSA-N |
Product Description
Applications: 2-Ethylbutyraldehyde 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 2-Ethylbutyraldehyde (CAS 97-96-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Ethylbutyraldehyde (CAS 97-96-1) is a heterocyclic building block with the molecular formula C6H12O and a molecular weight of 100.09 g/mol. Key physical properties include a density of 0.808-0.814 g/cm³, a solubility: miscible with alcohol, ether; soluble in water 1 ml in 50 ml. It is also known as 2-Ethylbutanal and 2-ETHYLBUTYRALDEHYDE.
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 2-Ethylbutyraldehyde
Property Insights of 2-Ethylbutyraldehyde
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylbutyraldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Ethylbutyraldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbutyraldehyde 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 2-Ethylbutyraldehyde?
The CAS number of 2-Ethylbutyraldehyde is 97-96-1.
What is the molecular formula of 2-Ethylbutyraldehyde?
The molecular formula of 2-Ethylbutyraldehyde is C6H12O.
What is the molecular weight of 2-Ethylbutyraldehyde?
The molecular weight of 2-Ethylbutyraldehyde is 100.08881 g/mol.
What are the applications of 2-Ethylbutyraldehyde?
2-Ethylbutyraldehyde 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 2-Ethylbutyraldehyde (CAS 97-96-1)...
Where can I buy 2-Ethylbutyraldehyde?
You can request a quote for 2-Ethylbutyraldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethylbutyraldehyde?
Yes, CoreyChem provides custom synthesis services for 2-Ethylbutyraldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.