Phenyl acetaldehyde diisobutyl acetal
TL;DR: Phenyl acetaldehyde diisobutyl acetal (CAS 68345-22-2) is a chemical compound with molecular formula C16H26O2 and molecular weight 250.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(2-methylpropoxy)ethylbenzene
Also Known As: [2,2-bis(2-methylpropoxy)ethyl]benzene|Phenylacetaldehyde diisobutyl acetal|1,1-Diisobutoxy-2-phenylethane|(2,2-diisobutoxyethyl)benzene|phenyl acetaldehyde diisobutyl acetal|FEMA No. 3384|2,2-bis(2-methylpropoxy)ethylbenzene|Phenylacetaldehyde, diisobutyl acetal|(2,2-Bis(2-methylpropoxy)ethyl)benzene|Benzene, (2,2-bis(2-methylpropoxy)ethyl)-|FEMA 3384|KST-1A7598|Benzene,[2,2-bis(2-methylpropoxy)ethyl]-|LS-3038|Benzene, [2,2-bis(2-methylpropoxy)ethyl]-|(2,2-bis(2-methylpropoxy)ethyl)-Benzene|Benzene, 2,2-bis(2-methylpropoxy)ethyl-|[2,2-Bis[(2-methylpropyl)oxy]ethyl]benzene|PHENYLACETALDEHYDE DIISOBUTYL ACETAL [FHFI]|[2,2-Bis(2-methylpropoxy)ethyl]benzene, 9CI|Benzene, [2,2-bis(2-methylpropoxy)ethyl]-, PHENYLACETALDEHYDE DIISOBUTYL ACETAL|269-851-5
| Molecular Formula | C16H26O2 |
|---|---|
| Molecular Weight | 250.19 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.19328 |
| Heavy Atoms | 18 |
| Complexity | 183.0 |
| Density | 0.928-0.936 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.468-1.476 |
Chemical Identifiers
| CAS Number | 68345-22-2 |
|---|---|
| SMILES | CC(C)COC(CC1=CC=CC=C1)OCC(C)C |
| InChIKey | IORFKGJOBOCHPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl acetaldehyde diisobutyl acetal (CAS 68345-22-2), with molecular formula C16H26O2 and molecular weight 250.19 g/mol. IUPAC: 2,2-bis(2-methylpropoxy)ethylbenzene.
Chemical Property Profile of Phenyl acetaldehyde diisobutyl acetal
Property Insights of Phenyl acetaldehyde diisobutyl acetal
The XLogP value of 4.7 indicates that Phenyl acetaldehyde diisobutyl 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, Phenyl acetaldehyde diisobutyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl acetaldehyde diisobutyl 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 Phenyl acetaldehyde diisobutyl acetal?
The CAS number of Phenyl acetaldehyde diisobutyl acetal is 68345-22-2.
What is the molecular formula of Phenyl acetaldehyde diisobutyl acetal?
The molecular formula of Phenyl acetaldehyde diisobutyl acetal is C16H26O2.
What is the molecular weight of Phenyl acetaldehyde diisobutyl acetal?
The molecular weight of Phenyl acetaldehyde diisobutyl acetal is 250.19 g/mol.
Where can I buy Phenyl acetaldehyde diisobutyl acetal?
You can request a quote for Phenyl acetaldehyde diisobutyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl acetaldehyde diisobutyl acetal?
Yes, KEHONG BIO provides custom synthesis services for Phenyl acetaldehyde diisobutyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.