2-(p-Tolyl)propanal
TL;DR: 2-(p-Tolyl)propanal (CAS 99-72-9) is a chemical compound with molecular formula C10H12O and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)propanal
Also Known As: 2-(4-methylphenyl)propanal, 2-(p-Tolyl)propanal, 2-p-Tolylpropanal, p-Methylhydratropaldehyde, 4-Methylhydratropaldehyde
| Molecular Formula | C10H12O |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
| Boiling Point | 222.00 to 224.00 °C. @ 760.00 mm Hg |
| Density | 0.979-0.985 |
| Solubility | Soluble in oils; Insoluble in water |
| Refractive Index | 1.513-1.517 |
Chemical Identifiers
| CAS Number | 99-72-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)C=O |
| InChIKey | JTZWVKUZBNHSSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(p-Tolyl)propanal (CAS 99-72-9), with molecular formula C10H12O and molecular weight 148.09 g/mol. IUPAC: 2-(4-methylphenyl)propanal.
Chemical Property Profile of 2-(p-Tolyl)propanal
Property Insights of 2-(p-Tolyl)propanal
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(p-Tolyl)propanal. With a topological polar surface area (TPSA) of 17.1 Ų, 2-(p-Tolyl)propanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(p-Tolyl)propanal 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
Frequently Asked Questions
What is the CAS number of 2-(p-Tolyl)propanal?
The CAS number of 2-(p-Tolyl)propanal is 99-72-9.
What is the molecular formula of 2-(p-Tolyl)propanal?
The molecular formula of 2-(p-Tolyl)propanal is C10H12O.
What is the molecular weight of 2-(p-Tolyl)propanal?
The molecular weight of 2-(p-Tolyl)propanal is 148.09 g/mol.
Where can I buy 2-(p-Tolyl)propanal?
You can request a quote for 2-(p-Tolyl)propanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(p-Tolyl)propanal?
Yes, KEHONG BIO provides custom synthesis services for 2-(p-Tolyl)propanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.