2-Methyl-2-butenal
TL;DR: 2-Methyl-2-butenal (CAS 1115-11-3) is a chemical compound with molecular formula C5H8O and molecular weight 84.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbut-2-enal
Also Known As: 2-methylbut-2-enal, Tiglic aldehyde, Angelaldehyde, Tiglaldehyde, Butenal, 2-methyl-
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8O |
| Molecular Weight | 84.05752 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.05752 Da |
| Heavy Atoms | 6 |
| Complexity | 72.0 |
| Density | 0.868-0.873 (20°) |
| Refractive Index | 1.445-1.450 |
| Solubility | Slightly soluble in water; soluble in ether and most oils |
| SMILES | CC=C(C)C=O |
| InChIKey | ACWQBUSCFPJUPN-UHFFFAOYSA-N |
Product Description
Applications: 2-Methyl-2-butenal is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. 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).
2-Methyl-2-butenal (CAS 1115-11-3) is a organic building block with the molecular formula C5H8O and a molecular weight of 84.06 g/mol. Key physical properties include a density of 0.868-0.873 (20°) g/cm³, a solubility: Slightly soluble in water; soluble in ether and most oils. Synonyms include 2-methylbut-2-enal and Tiglic aldehyde.
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-Methyl-2-butenal
Property Insights of 2-Methyl-2-butenal
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-butenal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methyl-2-butenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-butenal 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-Methyl-2-butenal?
The CAS number of 2-Methyl-2-butenal is 1115-11-3.
What is the molecular formula of 2-Methyl-2-butenal?
The molecular formula of 2-Methyl-2-butenal is C5H8O.
What is the molecular weight of 2-Methyl-2-butenal?
The molecular weight of 2-Methyl-2-butenal is 84.05752 g/mol.
What are the applications of 2-Methyl-2-butenal?
2-Methyl-2-butenal is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy 2-Methyl-2-butenal?
You can request a quote for 2-Methyl-2-butenal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-2-butenal?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-2-butenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.