2,2,4,4,6,8,8-Heptamethylnonane

Base Information

• Chemical Name: 2,2,4,4,6,8,8-Heptamethylnonane
• CAS No.: 4390-04-9
• Deprecated CAS: 125803-38-5
• Molecular Formula: C16H34
• Molecular Weight: 226.44
• Hs Code.: 29011000
• NSC Number: 77129
• UNII: 8LP0677305
• DSSTox Substance ID: DTXSID7052101
• Nikkaji Number: J125.176G
• Wikipedia: Isocetane
• Wikidata: Q754394
• ChEMBL ID: CHEMBL3561882
• Mol file: 4390-04-9.mol

Synonyms:2,2,4,4,6,8,8-heptamethylnonane;isocetane;isohexadecane

Chemical Property of 2,2,4,4,6,8,8-Heptamethylnonane

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: <1 mm Hg ( 20 °C)
• Melting Point: -3.71°C (estimate)
• Refractive Index: n20/D 1.439(lit.)
• Boiling Point: 240 °C at 760 mmHg
• Flash Point: 95.6 °C
• PSA: 0.00000
• Density: 0.793 g/mL at 25 °C(lit.)
• LogP: 5.91120
• Water Solubility.: 0.31ug/L(25 oC)
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 226.266051085
• Heavy Atom Count: 16
• Complexity: 197

Purity/Quality:

99.9% ^*data from raw suppliers

2,2,4,4,6,8,8-Heptamethylnonane >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C
• Uses: 2,2,4,4,6,8,8-Heptamethylnonane was used to study the effects of loading and aging pyrene in soils. It was also used to study its long term effect on the cell surface hydrophobicity (CSH) of a hexane-degrading Pseudomonas aeruginosa strain and a toluene-degrading Pseudomonas putida strain.