2-Benzyl-5,5-dimethyl-1,3-dioxane

Base Information

• Chemical Name: 2-Benzyl-5,5-dimethyl-1,3-dioxane
• CAS No.: 5468-08-6
• Molecular Formula: C13H18O2
• Molecular Weight: 206.2808
• European Community (EC) Number: 226-785-1
• NSC Number: 25481
• DSSTox Substance ID: DTXSID80969969
• Nikkaji Number: J210.542J
• Wikidata: Q82953045
• Mol file: 5468-08-6.mol

Synonyms:2-Benzyl-5,5-dimethyl-1,3-dioxane;5468-08-6;NSC25481;SCHEMBL6913762;DTXSID80969969;EINECS 226-785-1;NSC 25481;NSC-25481

Chemical Property of 2-Benzyl-5,5-dimethyl-1,3-dioxane

Chemical Property:

• Vapor Pressure: 0.00601mmHg at 25°C
• Boiling Point: 281.6°Cat760mmHg
• Flash Point: 130.4°C
• PSA: 18.46000
• Density: 1.004g/cm³
• LogP: 2.62820
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC(OC1)CC2=CC=CC=C2)C

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