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2,3,5-Trimethylhexane, also known as iso-octane, is a chemical compound with the molecular formula C9H20. It is a saturated hydrocarbon belonging to the alkane family. This colorless, flammable liquid has a gasoline-like odor and is commonly used as a reference standard to measure the octane rating of gasoline.

1069-53-0

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1069-53-0 Usage

Uses

Used in Fuel Industry:
2,3,5-Trimethylhexane is used as a reference standard for measuring the octane rating of gasoline, which is crucial for determining the fuel's resistance to knocking and its overall performance in internal combustion engines.
Used in Automotive Industry:
2,3,5-Trimethylhexane is used as a component in high-octane gasoline blends to improve engine performance and reduce knocking, ensuring smoother and more efficient combustion.
Used in Chemical Production:
2,3,5-Trimethylhexane is used in the production of organic chemicals and pharmaceuticals, serving as a versatile intermediate in various chemical synthesis processes.
Used as a Solvent:
2,3,5-Trimethylhexane is utilized as a solvent in certain applications due to its ability to dissolve a range of substances, making it useful in various industrial processes.
Safety Consideration:
It is important to handle 2,3,5-trimethylhexane with care, as it is highly flammable and poses a fire hazard, requiring proper safety measures during its use and storage.

Check Digit Verification of cas no

The CAS Registry Mumber 1069-53-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,6 and 9 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1069-53:
(6*1)+(5*0)+(4*6)+(3*9)+(2*5)+(1*3)=70
70 % 10 = 0
So 1069-53-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H20/c1-7(2)6-9(5)8(3)4/h7-9H,6H2,1-5H3

1069-53-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,3,5-TRIMETHYLHEXANE

1.2 Other means of identification

Product number -
Other names Hexane,2,3,5-trimethyl

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1069-53-0 SDS

1069-53-0Downstream Products

1069-53-0Relevant academic research and scientific papers

A solvent effect in reactions of singlet methylene

Neugebauer,DeLuca

, p. 7169 - 7172 (1989)

The effect of several solvents on the selectivity of singlet methylene (1:CH2) was investigated. It was found that product ratios from reactions in pentane, ethyl ether and cyclohexene solutions were identical; however, product ratios from reactions carried out in benzene were slightly different.

GAS-TO-GAS REACTOR AND METHOD OF USING

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Paragraph 0179-0180, (2021/02/05)

A device and a process to propagate molecular growth of hydrocarbons, either straight or branched chain structures, that naturally occur in the gas phase of a first gas to gas phase molecules of a second gas having higher molecular chain lengths than the hydrocarbons of the first gas. According to one embodiment, the device includes a grounded reactor vessel having a gas inlet, a product outlet, and an electrode within the vessel; a power supply coupled to the electrode for creating an electrostatic field within the vessel for converting the first gas to a second gas.

GAS-TO-LIQUID REACTOR AND METHOD OF USING

-

Paragraph 0143, (2019/08/15)

A device and a process to propagate molecular growth of hydrocarbons, either straight or branched chain structures, that naturally occur in the gas phase to a molecular size sufficient to shift the natural occurring phase to a liquid or solid state is provided. According to one embodiment, the device includes a grounded reactor vessel having a gas inlet, a liquid outlet, and an electrode within the vessel; a power supply coupled to the electrode for creating an elecirostatic field within the vessel for converting the gas to a liquid and or solid state.

Alkene oligomerization process

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Page 4-5, (2008/06/13)

A process for oligomerising alkenes having from 3 to 6 carbon atoms which comprises contacting a feedstock comprising a) one or several alkenes having x carbon atoms, and, b) optionally, one or several alkenes having y carbon atoms, x and y being different, with a catalyst containing a zeolite of the MFS structure type, under conditions to obtain selectively oligomeric product containing predominant amounts of certain oligomers. The process is carried out at a temperature comprised between 125 and 175° C. when the feedstock contains only alkenes with 3 carbon atoms and between 140 and 240° C., preferably between 140 and 200° C. when the feedstock contains comprises at least one alkene with 4 or more carbon atoms.

Complexation of a Singlet Carbene by a Fluoroalkane. Modification of 1:CHCO2Et Selectivity in Perfluorohexane Solution and ab Initio Calculations

Swanson, Judith M.,Dvorak, Curt A.,DeLuca, JoAnn, P.,Standard, Jean M.

, p. 3026 - 3032 (2007/10/02)

We have compared product distribution from reactions of 1:CH2 with 2,5-dimethylhexane and 1:CHCO2Et with 2,3-dimethylbutane in alkane vs 1:1 pentane-perfluorohexane solution.A solvent effect was observed in the reaction of 1:CHCO2Et, but not 1:CH2.The preference for tertiary/primary C-H insertion by 1:CHCO2Et is 3.97 +/- 0.04 in 2,3-dimethylbutane solution and 4.48 +/- 0.09 in 1:1 pentane-perfluorohexane solution.There is no change in the stereospecificity of 1:CHCO2Et addition to cis-2-pentene in pentane vs 1:1 pentane-perfluorohexane solution, indicating that the observed change in selectivity is probably not due to intersystem crossing to 3:CHCO2Et.Ab initio calculations provide evidence for a possible origin of the solvent effect via formation of carbene-fluoroalkane complexes.At the RHF/3-21G level, 1:CHCO2Me forms bound complexes with CH3F and CF4 with binding energies ranging from 5.7-19.6 kcal/mol.These complexes are 1.3-1.7 times more strongly bound than complexes formed between 1:CH2 and the same fluoroalkanes.

PRODUITS MOYENS DE LA RADIOLYSE DU DIMETHYL-2,3 BUTANE EN PHASE SOLIDE

Fontaine, L.M.,Claes, P.,Tilquin, B.

, p. 385 - 392 (2007/10/02)

2,3 Dimethylbutane was γ-irradiated in the quenched and annealed solid states at 77 K.G-yields of intermediate (C7 to C11) compounds were measured by gas chromatography.The alkene gases produced during radiolysis at 77 K may play a major role in the production of fragment alkyl or allyl radicals trapped during the radiolysis.By combination with the alkyl parent radical, these fragment radicals lead to intermediate compounds when the irradiated sample is warmed up.Post-irradiation scavenging of trapped radicals by dissolving the irradiated alkane in a propane-oxygen mixture lowered the intermediate product yield to an extend (47percent) corresponding to the radical contribution.

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