2216-33-3

Basic information

• Product Name: 3-METHYLOCTANE
• Synonyms: 3-METHYLOCTANE;Methyloctane;Octane, 3-methyl-;3-METHYLOCTANE 99+%;Nsc23689
• CAS NO: 2216-33-3
• Molecular Formula: C₉H₂₀
• Molecular Weight: 128.26
• EINECS: 218-686-7
• Mol File: 2216-33-3.mol
• Article Data: 9

Chemical Properties

• Melting Point: -107.6°C
• Boiling Point: 144 °C
• Flash Point: 32 °C
• Appearance: /
• Density: 0.72
• Vapor Pressure: 6.69mmHg at 25°C
• Refractive Index: n20/D 1.407
• Solubility: soluble in Ether,Benzene,Acetone
• Water Solubility: 0.8mg/L(23 oC)
• CAS DataBase Reference: 3-METHYLOCTANE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYLOCTANE(2216-33-3)
• EPA Substance Registry System: 3-METHYLOCTANE(2216-33-3)

Safety Data

• Statements: 10
• RIDADR: 1920
• HazardClass: 3.1
• PackingGroup: II
• Hazardous Substances Data: 2216-33-3(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 49, p. 3928, 1984 DOI: 10.1021/jo00195a009

Purification Methods

Take it through a silica gel column and distil it. [Klassen & Ross J Phys Chem 91 3668 1987, Beilstein 1 IV 455]

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

Upstream product

• 112-40-3 dodecane 
• 78-86-4 s-butyl chloride 
• 3525-31-3 n-pentyl lithium 
• 5340-36-3 3-methyl-3-octanol 
• 109-65-9 1-bromo-butane 
• 10422-35-2 1-bromo-2-methyl-butane 
• 1573-71-3 3-methyl-octa-1,3,7-trien-5-yne 
• 876478-70-5 3-methyl-oct-4-ene 
• 64156-02-1 3-methyloctane cation 
• 111-01-3 2,6,10,15,19,23-hexamethyltetracosane 
• 75-00-3 chloroethane 
• 3377-86-4 2-bromohexane 
• 1573-69-9 3-methyl-octa-1,7-dien-5-yn-3-ol 
• 1838-94-4 isoprene epoxide 

Relevant articles and documents

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.

Activation and isomerization of hydrocarbons over WO3/ZrO2 catalysts. II. Influence of tungsten loading on catalytic activity: Mechanistic studies and correlation with surface reducibility and tungsten surface species

We studied the correlation among the catalytic behavior of WO3/ZrO2 samples toward unsaturated and saturated hydrocarbons transformation, tungsten surface species oxidation states, and the crystallographic structure of the zirconia support. Different tungsten-loaded catalysts were studied, from 9 wt% (near-monolayer coverage) to 30 wt%. The resulting WO3/ZrO2 materials were obtained by impregnation of a tungsten salt on either a commercially available monoclinic zirconia or an amorphous hydroxide, ZrOx(OH)4-2x, followed by a calcination step (according to the Hino and Arata procedure), leading to a tetragonal structure. In contrast to previous works, here we demonstrate that the crystallographic structure of zirconia has no influence on catalytic properties. Correlations with XPS analyses revealed two aspects of catalytic behavior that depend strongly on the catalyst reducibility and thus on the W surface species oxidation states. First, on hardly reducible (tungsten loadings a purely acidic monomolecular mechanism for both isomerization (largely predominant) and cracking reactions, associated with W6+ and W5+ surface species, was demonstrated. Second, on easily reducible (tungsten loadings >15 wt%) or deeply reduced (over 723 K) surfaces, a bifunctional mechanism associating dehydrogenating/hydrogenating properties occurring on metallic tungsten and acidic isomerization and cracking on W5+ and W6+ surface species was observed. However, in this last case, we could not exclude the participation of a purely metallic isomerization mechanism occurring through σ-alkyl adsorbed species on the β-W metallic phase. A more pronounced reduction then led to an increase in the extensive hydrogenolysis mechanism, causing catalyst deactivation.