[2,2-Bis(2-methylpropoxy)ethyl]benzene

Base Information

• Chemical Name: [2,2-Bis(2-methylpropoxy)ethyl]benzene
• CAS No.: 68345-22-2
• Molecular Formula: C16H26O2
• Molecular Weight: 250.38
• European Community (EC) Number: 269-851-5
• UNII: M7DD3LIZ6U
• DSSTox Substance ID: DTXSID2071441
• Nikkaji Number: J349.362H
• Wikidata: Q27283586
• Metabolomics Workbench ID: 47896
• Mol file: 68345-22-2.mol

Synonyms:68345-22-2;[2,2-bis(2-methylpropoxy)ethyl]benzene;Phenylacetaldehyde diisobutyl acetal;phenyl acetaldehyde diisobutyl acetal;2,2-bis(2-methylpropoxy)ethylbenzene;1,1-Diisobutoxy-2-phenylethane;FEMA No. 3384;(2,2-Bis(2-methylpropoxy)ethyl)benzene;Phenylacetaldehyde, diisobutyl acetal;Benzene, (2,2-bis(2-methylpropoxy)ethyl)-;EINECS 269-851-5;UNII-M7DD3LIZ6U;M7DD3LIZ6U;Benzene,[2,2-bis(2-methylpropoxy)ethyl]-;Benzene, [2,2-bis(2-methylpropoxy)ethyl]-;SCHEMBL873066;DTXSID2071441;FEMA 3384;CHEBI:174311;LS-3038;(2,2-bis(2-methylpropoxy)ethyl)-Benzene;[2,2-Bis[(2-methylpropyl)oxy]ethyl]benzene;FT-0745445;[2,2-Bis(2-methylpropoxy)ethyl]benzene, 9CI;PHENYLACETALDEHYDE DIISOBUTYL ACETAL [FHFI];Q27283586

Chemical Property of [2,2-Bis(2-methylpropoxy)ethyl]benzene

Chemical Property:

• Vapor Pressure: 0.00195mmHg at 25°C
• Refractive Index: 1.48
• Boiling Point: 300.9 °C at 760 mmHg
• Flash Point: 93.4 °C
• PSA: 18.46000
• Density: 0.933 g/cm³
• LogP: 3.90040
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 250.193280068
• Heavy Atom Count: 18
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

PHENYL ACETALDEHYDE DIISOBUTYL ACETAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC(CC1=CC=CC=C1)OCC(C)C