Cuminaldehyde
TL;DR: Cuminaldehyde (CAS 122-03-2) is a chemical compound with molecular formula C10H12O and molecular weight 148.08882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-propan-2-ylbenzaldehyde
Also Known As: cuminaldehyde, 4-isopropylbenzaldehyde, cumaldehyde, cuminal, cuminic aldehyde
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O |
| Molecular Weight | 148.08882 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.08882 Da |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
| Boiling Point | 235.5 °C |
| Density | 0.973-0.981 |
| Refractive Index | 1.527-1.534 |
| Solubility | 282 mg/L @ 20 °C (exp) |
| SMILES | CC(C)C1=CC=C(C=C1)C=O |
| InChIKey | WTWBUQJHJGUZCY-UHFFFAOYSA-N |
Product Description
Applications: Cuminaldehyde is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cuminaldehyde (CAS 122-03-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Cuminaldehyde is a pharmaceutical intermediate identified by CAS number 122-03-2 and the molecular formula C10H12O and a molecular weight of 148.09 g/mol. Physically, the compound has a density of 0.973-0.981 g/cm³, a solubility: 282 mg/L @ 20 °C (exp). It is also known as cuminaldehyde and 4-isopropylbenzaldehyde.
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 Cuminaldehyde
Property Insights of Cuminaldehyde
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cuminaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, Cuminaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cuminaldehyde 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 Cuminaldehyde?
The CAS number of Cuminaldehyde is 122-03-2.
What is the molecular formula of Cuminaldehyde?
The molecular formula of Cuminaldehyde is C10H12O.
What is the molecular weight of Cuminaldehyde?
The molecular weight of Cuminaldehyde is 148.08882 g/mol.
What are the applications of Cuminaldehyde?
Cuminaldehyde is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cuminaldehyde (CAS 122-03-2) with custom...
Where can I buy Cuminaldehyde?
You can request a quote for Cuminaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cuminaldehyde?
Yes, CoreyChem provides custom synthesis services for Cuminaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.