Acetaldehyde butyl phenethyl acetal
TL;DR: Acetaldehyde butyl phenethyl acetal (CAS 64577-91-9) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-butoxyethoxy)ethylbenzene
Also Known As: (2-(1-Butoxyethoxy)ethyl)benzene, Acetaldehyde butyl phenethyl acetal, 2-Butoxy-2-phenylethoxyethane, 2-(1-butoxyethoxy)ethylbenzene, [2-(1-Butoxyethoxy)ethyl]benzene
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 153.0 |
| Boiling Point | 280.00 to 282.00 °C. @ 760.00 mm Hg |
| Density | 0.923-0.935 |
| Solubility | Miscible in oils |
| Refractive Index | 1.467-1.481 |
Chemical Identifiers
| CAS Number | 64577-91-9 |
|---|---|
| SMILES | CCCCOC(C)OCCC1=CC=CC=C1 |
| InChIKey | JBEADRDKGADTFN-UHFFFAOYSA-N |
Product Overview
Acetaldehyde butyl phenethyl acetal (CAS 64577-91-9), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 2-(1-butoxyethoxy)ethylbenzene.
Chemical Property Profile of Acetaldehyde butyl phenethyl acetal
Property Insights of Acetaldehyde butyl phenethyl acetal
The XLogP value of 3.7 indicates that Acetaldehyde butyl phenethyl acetal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Acetaldehyde butyl phenethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetaldehyde butyl phenethyl 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 Acetaldehyde butyl phenethyl acetal?
The CAS number of Acetaldehyde butyl phenethyl acetal is 64577-91-9.
What is the molecular formula of Acetaldehyde butyl phenethyl acetal?
The molecular formula of Acetaldehyde butyl phenethyl acetal is C14H22O2.
What is the molecular weight of Acetaldehyde butyl phenethyl acetal?
The molecular weight of Acetaldehyde butyl phenethyl acetal is 222.16 g/mol.
Where can I buy Acetaldehyde butyl phenethyl acetal?
You can request a quote for Acetaldehyde butyl phenethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetaldehyde butyl phenethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for Acetaldehyde butyl phenethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.