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 
• 1573-71-3 3-methyl-octa-1,3,7-trien-5-yne 
• 876478-70-5 3-methyl-oct-4-ene 
• 124-11-8 non-1-ene 
• 74-98-6 propane 
• 111-84-2 nonane 
• 534-22-5 2-methylfuran 
• 629-78-7 hepatdecane 
• 593-45-3 octadecane 
• 629-92-5 n-nonadecane 
• 187737-37-7 propene 
• 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.

CATALYTIC PROCESS FOR CONVERTING RENEWABLE RESOURCES INTO PARAFFINS FOR USE AS DIESEL BLENDING STOCKS

A process for converting renewable resources such as vegetable oil and animal fat into paraffins in a single step which comprises contacting a feed which is a renewable resources with hydrogen and a catalyst which comprises molybdenum, a non-precious metal and an oxide to produce a hydrocarbon product having a ratio of even-numbered hydrocarbons to odd-numbered hydrocarbons of at least 2:1.