562-49-2

Basic information

• Product Name: 3,3-Dimethylpentane
• Synonyms: (C2H5)2C(CH3)2;3,3-dimethyl-pentan;pentane,3,3-dimethyl-;DIETHYLDIMETHYLMETHANE;3,3-DIMETHYLPENTANE;2-Ethyl-2-methylbutane;3,3-Dimethylpentane,99%;3,3-DiMethylpentane, 99% 5GR
• CAS NO: 562-49-2
• Molecular Formula: C₇H₁₆
• Molecular Weight: 100.2
• EINECS: 209-230-8
• Product Categories: Acyclic;Alkanes;Organic Building Blocks;Building Blocks;Chemical Synthesis;Organic Building Blocks
• Mol File: 562-49-2.mol
• Article Data: 18

Chemical Properties

• Melting Point: -135 °C
• Boiling Point: 86 °C(lit.)
• Flash Point: 20 °F
• Appearance: Clear colorless/Liquid
• Density: 0.693 g/mL at 25 °C(lit.)
• Vapor Pressure: 2.77 psi ( 37.7 °C)
• Refractive Index: n20/D 1.392(lit.)
• Storage Temp.: Flammables area
• Solubility: Soluble in acetone, alcohol, benzene, chloroform, and ether (Weast, 1986)
• PKA: >14 (Schwarzenbach et al., 1993)
• Explosive Limit: ~7%
• Water Solubility: Soluble in acetone, water, chloroform, alcohol & ether. In water ( 5.92 mg/kg ) dissolves at 25°C.
• BRN: 1696854
• CAS DataBase Reference: 3,3-Dimethylpentane(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-Dimethylpentane(562-49-2)
• EPA Substance Registry System: 3,3-Dimethylpentane(562-49-2)

Safety Data

• Hazard Codes: F,Xn,N
• Statements: 11-38-50/53-65-67
• Safety Statements: 9-16-29-33-60-61-62
• RIDADR: UN 3295 3/PG 2
• WGK Germany: 2
• TSCA: Yes
• HazardClass: 3
• PackingGroup: II
• Hazardous Substances Data: 562-49-2(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless liquid

Physical properties

Colorless, mobile liquid with an odor resembling heptane or gasoline. Evaporates when spilled forming combustible vapors.

Uses

3,3-Dimethylpentane Is used in organic synthesis & as gasoline component, as Pharmaceutical intermediates. It was used in the development and evaluation of the epiocular-eye irritation test.

General Description

3,3-Dimethylpentane isomerizes via a methyl shift mechanism on oxygen-exposed tungsten carbides.

Environmental fate

Chemical/Physical. Complete combustion in air yields carbon dioxide and water vapor. 3,3- Dimethylbutane will not hydrolyze because it has no hydrolyzable functional group.

InChI:InChI=1/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3

Upstream product

• 56-23-5 tetrachloromethane 
• 594-36-5 2-methyl-2-butylchloride 
• 557-20-0 diethylzinc 
• 925-90-6 ethylmagnesium bromide 
• 78-78-4 methylbutane 
• 74-85-1 ethene 
• 594-38-7 2-iodo-2-methylbutane 
• 594-20-7 2,2-dichloropropane 
• 19781-24-9 3,3-dimethyl-2-pentanol 
• 5435-44-9 (E)-3-Ureido-but-2-enoic acid ethyl ester 
• 6188-50-7 1-bromo-3,3-dimethyl-pentane 
• 1638-26-2 1,1-Dimethylcyclopentane 
• 1003-19-6 1,1-diethylcyclopropane 
• 111-24-0 1,5-dibromo-pentane 

Downstream Products

• 6481-95-4 4,4-Dimethyl-1-hexanol 
• 66576-25-8 2,3,3-Trimethyl-1-pentanol 
• 10524-71-7 3-Ethyl-3-methyl-1-pentanol 
• 590-35-2 2,2-dimethylpentane 
• 3404-73-7 3,3-dimethyl-1-pentene 
• 1638-26-2 1,1-Dimethylcyclopentane 
• 108-88-3 toluene 
• 71-43-2 benzene 
• 96-37-7 methyl-cyclopentane 
• 82166-21-0 methyl cyclohexane 

Relevant articles and documents

Influence of chlorine on the catalytic properties of supported rhodium, iridium and platinum in ring opening of naphthenes

Pt, Ir and Rh were deposited on SiO2 or Al2O 3 using chlorinated precursors and various amounts of HCl in the impregnation medium. The Br?nsted and Lewis acidities increased with the chlorine content of the alumina supported catalysts. The silica-supported catalysts only presented Lewis acid sites. The catalysts were evaluated in methylcyclopentane (MCP) and methylcyclohexane (MCH) ring-opening (RO) under pressure (2.85 and 3.95 MPa, respectively), from 200 to 425 C. For MCP conversion, the acidity of the alumina support had no sensitive effect on the activity and selectivity to RO products, and few effects on the distribution of RO products. No isomerization or hydrocracking products were observed, confirming that these reactions occurred mainly on the metal function, which was not modified by the presence of chlorine. The nature of the support, SiO 2 or Al2O3, had a strong effect on both the activity (1.9 against 0.5 mol h-1 g-1metal for Ir/Al2O3 and Ir/SiO2, respectively at 225 C) and selectivity to RO products (99.6% against 97.5% for Ir/Al2O 3 and Ir/SiO2, respectively, at 80% of MCP conversion) for Ir catalysts only. Interestingly, the Rh/SiO2 exhibited a high selectivity for converting MCP to RO products, similar to Ir/Al 2O3, i.e. 99.6% at 80% of conversion. Depending on the metal and the supports, three types of behavior were observed for MCH ring-opening: (i) a direct ring-opening on the metal function whatever the support for Ir, (ii) a first step of isomerization, and then a need of a sufficiently acidic support, for Pt and (iii) an intermediate behavior for Rh, which was able to either directly convert MCH in absence of acidic support or favor a bifunctional mechanism on chlorinated alumina.

Isomerization of N-heptane in naphtha cuts

A process for the isomerization of normal heptane contained within a naphtha stream, such as a C6-C8 naphtha, in which the naphtha stream is fractionated into a fraction substantially free of normal heptane and a fraction containing normal heptane. The fraction containing normal heptane is contacted with an isomerization catalyst in an isomerization zone operated as a singe pass fixed bed reactor having a single effluent to isomerize a portion of said normal heptane to branched heptane. The effluent is recovered from said isomerization zone and the effluent is fractionated to recover said branched heptane. The unconverted normal heptane is recovered and returned to the isomerization since it can be separated from the branded heptanes by fractionation.