2-Hexyl-4-methyl-1,3-dioxane

Base Information

• Chemical Name: 2-Hexyl-4-methyl-1,3-dioxane
• CAS No.: 3080-69-1
• Molecular Formula: C11H22 O2
• Molecular Weight: 186.29118
• European Community (EC) Number: 221-371-7
• NSC Number: 6838
• DSSTox Substance ID: DTXSID30883944
• Nikkaji Number: J217.240B
• Mol file: 3080-69-1.mol

Synonyms:2-Hexyl-4-methyl-1,3-dioxane;3080-69-1;1,3-Dioxane, 2-hexyl-4-methyl-;4-Methyl-2-hexyl-1,3-dioxane;Heptanal, cyclic trimethylene acetal;m-Dioxane, 2-hexyl-4-methyl-;Heptaldehyde-1,3-butylene glycol acetal;Heptanal, cyclic 1-methyltrimethylene acetal;NSC 6838;EINECS 221-371-7;Heptanal, cyclic 1,3-propanediyl acetal;AI3-22552;Heptanal,3-propanediyl acetal;DTXSID30883944;NSC6838;BCP32473;NSC-6838;AKOS040749882

Chemical Property of 2-Hexyl-4-methyl-1,3-dioxane

Chemical Property:

• Vapor Pressure: 0.138mmHg at 25°C
• Boiling Point: 224.2°Cat760mmHg
• Flash Point: 83.9°C
• PSA: 18.46000
• Density: 0.878g/cm³
• LogP: 3.10830
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1OCCC(O1)C