4,4,6-Trimethyl-2-octyl-1,3-dioxane

Base Information

• Chemical Name: 4,4,6-Trimethyl-2-octyl-1,3-dioxane
• CAS No.: 5452-12-0
• Molecular Formula: C15H30 O2
• Molecular Weight: 242.4
• NSC Number: 21908
• DSSTox Substance ID: DTXSID10281540
• Mol file: 5452-12-0.mol

Synonyms:5452-12-0;4,4,6-trimethyl-2-octyl-1,3-dioxane;NSC21908;DTXSID10281540;NSC-21908

Chemical Property of 4,4,6-Trimethyl-2-octyl-1,3-dioxane

Chemical Property:

• Vapor Pressure: 0.0134mmHg at 25°C
• Boiling Point: 267.4°Cat760mmHg
• Flash Point: 105.9°C
• PSA: 18.46000
• Density: 0.854g/cm³
• LogP: 4.66710
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 242.224580195
• Heavy Atom Count: 17
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1OC(CC(O1)(C)C)C