2-Hexyl-4,5-dimethyl-1,3-dioxolane

Base Information

• Chemical Name: 2-Hexyl-4,5-dimethyl-1,3-dioxolane
• CAS No.: 6454-22-4
• Molecular Formula: C11H22O2
• Molecular Weight: 186.2912
• Hs Code.: 2932999099
• European Community (EC) Number: 229-261-0
• NSC Number: 6594
• UNII: SI7098BB5P
• DSSTox Substance ID: DTXSID50863849
• Nikkaji Number: J225.128K
• Wikidata: Q27289221
• Metabolomics Workbench ID: 45429
• Mol file: 6454-22-4.mol

Synonyms:2-Hexyl-4,5-dimethyl-1,3-dioxolane;6454-22-4;1,3-Dioxolane, 2-hexyl-4,5-dimethyl-;UNII-SI7098BB5P;SI7098BB5P;NSC 6594;NSC-6594;EINECS 229-261-0;1,3-Dioxolane, 4,5-dimethyl-2-hexyl-;AI3-22551;NSC6594;1, 2-hexyl-4,5-dimethyl-;1, 4,5-dimethyl-2-hexyl-;SCHEMBL3505674;FEMA NO. 4048;heptanal 2,3-butane diol acetal;DTXSID50863849;CHEBI:179381;4,5-dimethyl-2-hexyl-1,3-dioxolane;AKOS022172126;HEPTANAL 2,3-BUTYLENE GLYCOL ACETAL;A867863;2-HEXYL-4,5-DIMETHYL-1,3-DIOXOLANE [FHFI];Q27289221

Chemical Property of 2-Hexyl-4,5-dimethyl-1,3-dioxolane

Chemical Property:

• Vapor Pressure: 5.3E-11mmHg at 25°C
• Refractive Index: 1.626
• Boiling Point: 218 °C at 760 mmHg
• Flash Point: 80.6 °C
• PSA: 18.46000
• Density: 0.868 g/cm³
• LogP: 3.10670
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

2-Hexyl-4,5-dimethyl-1,3-dioxolane 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1OC(C(O1)C)C