2,6-Dimethyloctane

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2,6-Dimethyloctane Basic information
Product Name:2,6-Dimethyloctane
Synonyms:octane,2,6-dimethyl-;tetrahydrocitronellene;2,6-DIMETHYLOCTANE 95+%;2,6-Dimethyloctane >;2,6-Dimethyloctane in isooctane;dimethyloctane;Octane, 2,6-dimethyl-;2,6-Dimethyloctane
CAS:2051-30-1
MF:C10H22
MW:142.28
EINECS:
Product Categories:
Mol File:2051-30-1.mol
2,6-Dimethyloctane Structure
2,6-Dimethyloctane Chemical Properties
Melting point -53.15°C
Boiling point 158°C
density 0,73 g/cm3
refractive index 1.3990-1.4130
Fp 34°C
form clear liquid
color Colorless to Almost colorless
Water Solubility 89.16ug/L(temperature not stated)
Henry's Law Constant1.0×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
InChIInChI=1S/C10H22/c1-5-10(4)8-6-7-9(2)3/h9-10H,5-8H2,1-4H3
InChIKeyZALHPSXXQIPKTQ-UHFFFAOYSA-N
SMILESCC(C)CCCC(C)CC
LogP5.490 (est)
CAS DataBase Reference2051-30-1(CAS DataBase Reference)
EPA Substance Registry SystemOctane, 2,6-dimethyl- (2051-30-1)
Safety Information
Risk Statements 10
Safety Statements 16
RIDADR 3295
HS Code 2901.10.5000
HazardClass 3
PackingGroup III
MSDS Information
2,6-Dimethyloctane Usage And Synthesis
Chemical Properties2,6-Dimethyloctane is a colourless, transparent liquid compound with a density of 0.73 g/mL3, a boiling point of 158° C, a flash point of 34 °C, soluble in ethanol and stored at room temperature.
Uses2,6-Dimethyloctane is used as a diesel fuel additive and as a chemical reaction reagent or product. Optically active 6-chloro-2,6-dimethyloctane is capable of being reduced to 2,6-dimethyloctane in alkali metal solutions in liquid ammonia, and its primary configuration remains unchanged[1-2].
UsesMyrcane is a useful synthetic intermediate. It was used to synthesize alcohols via C-H hydroxylation of alicyclic and aliphatics compounds.
References[1] NOAH I. TRACY. Hydrogenated monoterpenes as diesel fuel additives[J]. Fuel, 2009. DOI:10.1016/j.fuel.2009.02.002.
[2] P. E. VERKADE  B. M W  K D Vries. Reactions of aliphatic halides with solutions of alkali metals in liquid ammonia: III. The reduction of optically active 6‐chloro‐2,6‐dimethyloctane to the corresponding hydrocarbon[J]. Recueil des Travaux Chimiques des Pays-Bas, 2010. DOI:10.1002/RECL.19640830406.
2,6-Dimethyloctane Preparation Products And Raw materials
Raw materials2,6-Dimethyl-2-octene-->Myrcene
Preparation Products4-Ethyloctane-->2,6,10-Trimethylundecane-->n-Octane
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