3221-61-2

Basic information

• Product Name: 2-Methyloctane
• Synonyms: 2-Methyloctane;NSC 23695
• CAS NO: 3221-61-2
• Molecular Formula: C₉H₂₀
• Molecular Weight: 128.26
• EINECS: 221-748-6
• Mol File: 3221-61-2.mol
• Article Data: 16

Chemical Properties

• Boiling Point: 143.3°Cat760mmHg
• Flash Point: 25.2°C
• Appearance: colourless liquid
• Density: 0.722g/cm³
• Vapor Pressure: 6.73mmHg at 25°C
• Refractive Index: 1.407
• CAS DataBase Reference: 2-Methyloctane(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Methyloctane(3221-61-2)
• EPA Substance Registry System: 2-Methyloctane(3221-61-2)

Safety Data

• Hazardous Substances Data: 3221-61-2(Hazardous Substances Data)

Usage

General Description

2-Methyloctane is a hydrocarbon compound with the chemical formula C9H20. It is a liquid that is insoluble in water and is commonly used as a solvent in various industrial processes. 2-Methyloctane is a flammable liquid with a strong, pungent odor and it is found in some natural sources such as crude oil and petroleum products. It is primarily used as an intermediate in the production of various chemicals and as a solvent in industrial and commercial applications. Additionally, 2-Methyloctane is also used as a fuel additive to improve the performance and efficiency of gasoline. Overall, 2-Methyloctane is an important industrial chemical with various applications in the chemical and petroleum industries.

InChI:InChI=1/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3

Synthetic route

prenyl bromide (870-63-3) → 2-methyloctane (3221-61-2)

Conditions	Yield
With lithium aluminium tetrahydride; silver perchlorate In tetrahydrofuran at -50℃; for 2h;	95%

Upstream product

• 40582-87-4 1-chloro-4-(2-methyl-octane-1-sulfonyl)-benzene 
• 1028-12-2 2-Octyl tosylate 
• 917-54-4 methyllithium 
• 870-63-3 prenyl bromide 
• 88523-50-6 2-isocyano-2-methylheptane 
• 35324-49-3 p-Chlorphenyl-1-octenyl-sulfon 
• 187737-37-7 propene 
• 201230-82-2 carbon monoxide 
• 124-11-8 non-1-ene 
• 693-02-7 hex-1-yne 
• 111-71-7 heptanal 
• 16630-91-4 2-methylheptanal 
• 693-25-4 n-pentylmagnesium bromide 
• 74783-53-2 Z-2-methyl-4-octene 

Downstream Products

• 628-44-4 2-methyl-2-octanol 

Relevant articles and documents

Chemical and Spectroscopic Studies on Copper Iodide Derived Organocuprates: New Insight into the Composition of Gilman's Reagent

Both 1H and 7Li NMR spectroscopy at high field have served to reveal that the addition of ethereal MeLi to MeCu/THF, in the absence of LiI, leads to unprecedented equilibria (Keq ca. 11) between Me2CuLi and MeLi plus Me3Cu2Li.From a series of spectra at -70 degC, a scheme is proposed to account for the signals observed in solutions of varying MeLi:MeCu ratios.These data lead to the conclusion that not only Gilman's reagent but also "Me3CuLi2" and "Me5Cu3Li2" are not discrete, but rather are composed of differing percentages of the same components.In the presence of LiI, or in Et2O solutions alone, however, this equilibrium does not exi sts for MeLi:MeCu ratios up to 1:1.Chemical tests on both ketones and esters, as well as a series of Gilman tests, fully corroborate the existence of various forms of Gilman's reagent.

Insight into decomposition of formic acid to syngas required for Rh-catalyzed hydroformylation of olefins

Formic acid (FA) is one kind of important bulk chemicals, which is recognized as a sustainable and eco-friendly energy carrier to transport H2 via dehydrogenation or CO via decarbonylation. Expectantly, FA upon decomposition into H2 and CO could be used as the syngas alternative for hydroformylation. In this paper, the behaviors of FA to release H2 as well as CO following the distinct pathways were carefully investigated for the first time, and then established a new hydroformylation protocol free of syngas. It was found that the atmospheric hydroformylation of olefins with formic acid (FA) as syngas alternative was smoothly fulfilled over Xantphos (L1) modified Rh-catalyst under mild conditions (80 °C, Rh concentration 1 mol %, 14 h), resulting in >90% conversion of the olefins along with the high selectivity to the target aldehydes (>93%). By using FA as syngas source, the side-reaction of olefin-hydrogenation was greatly depressed. The in situ FT-IR and the high-pressure 1H NMR spectroscopic analyses were applied to reveal how FA behaves dually as CO surrogate and hydrogen source over L1-Rh(acac)(CO)2 catalytic system, based on which the deeply insight into the catalytic mechanism of hydroformylation of olefins with FA as syngas alternative was offered.

UPGRADING 5-NONANONE

Provided are fuel components, a method for producing fuel components, use of the fuel components and fuel containing the fuel components based on 5-nonanone.

Production of liquid hydrocarbon fuels with acetoin and platform molecules derived from lignocellulose

Acetoin, a novel C4 platform molecule derived from new ABE (acetoin-butanol-ethanol) type fermentation via metabolic engineering, was used for the first time as a bio-based building block for the production of liquid hydrocarbon fuels. A series of diesel or jet fuel range C9-C14 straight, branched, or cyclic alkanes were produced in excellent yields by means of C-C coupling followed by hydrodeoxygenation reactions. Hydroxyalkylation/alkylation of acetoin with 2-methylfuran was investigated over a series of solid acid catalysts. Among the investigated candidates, zirconia supported trifluoromethanesulfonic acid showed the highest activity and stability. In the aldol condensation step, a basic ionic liquid [H3N+-CH2-CH2-OH][CH3COO-] was identified as an efficient and recyclable catalyst for the reactions of acetoin with furan based aldehydes. The scope of the process has also been studied by reacting acetoin with other aldehydes, and it was found that abnormal condensation products were formed from the reactions of acetoin with aromatic aldehydes through an aldol condensation-pinacol rearrangement route when amorphous aluminium phosphate was used as a catalyst. And the final hydrodeoxygenation step could be achieved by using a simple and handy Pd/C + H-beta zeolite system, and no or a negligible amount of oxygenates was observed after the reaction. Excellent selectivity was also observed using the present system, and the clean formation of hydrocarbons with a narrow distribution of alkanes occurred in most cases.