2-Phenylpropionaldehyde dimethyl acetal
TL;DR: 2-Phenylpropionaldehyde dimethyl acetal (CAS 90-87-9) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethoxypropan-2-ylbenzene
Also Known As: 2-Phenylpropionaldehyde dimethyl acetal, 1,1-Dimethoxy-2-phenylpropane, Hydratropic aldehyde dimethyl acetal, Hydratropaldehyde dimethyl acetal, (1,1-Dimethoxypropan-2-yl)benzene
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
| Boiling Point | 111.00 to 112.00 °C. @ 12.00 mm Hg |
| Density | 0.989-0.994 |
| Solubility | Soluble in ether; Insoluble in water |
| Refractive Index | 1.492-1.497 |
Chemical Identifiers
| CAS Number | 90-87-9 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)C(OC)OC |
| InChIKey | UFOUDYPOSJJEDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylpropionaldehyde dimethyl acetal (CAS 90-87-9), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 1,1-dimethoxypropan-2-ylbenzene.
Chemical Property Profile of 2-Phenylpropionaldehyde dimethyl acetal
Property Insights of 2-Phenylpropionaldehyde dimethyl acetal
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylpropionaldehyde dimethyl acetal. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Phenylpropionaldehyde dimethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylpropionaldehyde dimethyl acetal has 0 hydrogen bond donor(s) and 2 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-Phenylpropionaldehyde dimethyl acetal?
The CAS number of 2-Phenylpropionaldehyde dimethyl acetal is 90-87-9.
What is the molecular formula of 2-Phenylpropionaldehyde dimethyl acetal?
The molecular formula of 2-Phenylpropionaldehyde dimethyl acetal is C11H16O2.
What is the molecular weight of 2-Phenylpropionaldehyde dimethyl acetal?
The molecular weight of 2-Phenylpropionaldehyde dimethyl acetal is 180.12 g/mol.
Where can I buy 2-Phenylpropionaldehyde dimethyl acetal?
You can request a quote for 2-Phenylpropionaldehyde dimethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylpropionaldehyde dimethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylpropionaldehyde dimethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.