2-Butyl-4,4,6-trimethyl-1,3-dioxane

Base Information

• Chemical Name: 2-Butyl-4,4,6-trimethyl-1,3-dioxane
• CAS No.: 54546-26-8
• Molecular Formula: C11H22 O2
• Molecular Weight: 186.33
• European Community (EC) Number: 259-210-8
• DSSTox Substance ID: DTXSID0052205
• Nikkaji Number: J266.909I
• Mol file: 54546-26-8.mol

Synonyms:2-Butyl-4,4,6-trimethyl-1,3-dioxane;54546-26-8;1,3-Dioxane, 2-butyl-4,4,6-trimethyl-;EINECS 259-210-8;SCHEMBL248049;DTXSID0052205;AKOS006274427;2-Butyl-4 4 6-trimethyl-1 3-dioxane;LS-62274;1,3-dioxano, 2-butil-4,4,6-trimetil-;W-111091;2 - butyl - 4,4,6 - trimethyl - 1,3 - dioxane

Chemical Property of 2-Butyl-4,4,6-trimethyl-1,3-dioxane

Chemical Property:

• Appearance/Colour: Colourless pale yellow liquid
• Vapor Pressure: 0.33mmHg at 25°C
• Refractive Index: 1.4260 (estimate)
• Boiling Point: 207.1 °C at 760 mmHg
• Flash Point: 74.9 °C
• PSA: 18.46000
• Density: 0.856 g/cm ³
• LogP: 3.10670
• Water Solubility.: 656μg/L at 20℃
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 154

Purity/Quality:

99.9% ^*data from raw suppliers

2-BUTYL-4,4,6-TRIMETHYL-1,3-DIOXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1OC(CC(O1)(C)C)C