2,5-Dimethylhexane

Base Information

• Chemical Name: 2,5-Dimethylhexane
• CAS No.: 592-13-2
• Molecular Formula: C8H18
• Molecular Weight: 114.231
• European Community (EC) Number: 209-745-8
• NSC Number: 74172
• UNII: PCS13D63P8
• DSSTox Substance ID: DTXSID4073201
• Nikkaji Number: J43.425F
• Wikipedia: 2,5-Dimethylhexane
• Wikidata: Q2813798
• Mol file: 592-13-2.mol

Synonyms:2,5-dimethylhexane

Chemical Property of 2,5-Dimethylhexane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 30.1mmHg at 25°C
• Melting Point: -91 °C
• Boiling Point: 108.6°Cat760mmHg
• Flash Point: 26.7°C
• PSA: 0.00000
• Density: 0.707g/cm³
• LogP: 3.07860
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 114.140850574
• Heavy Atom Count: 8
• Complexity: 36

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): XnN
• Hazard Codes: Xn:Harmful;;
• Statements: R10:Flammable.; R38:Irritating to skin.; R50/53:Very toxic to aquatic organisms, may cause long-term adverse effec
• Safety Statements: S16:Keep away from sources of ignition - No smoking.; S29:Do not empty into drains.; S33:Take precautionary measur

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC(C)CCC(C)C

Technology Process of 2,5-Dimethylhexane

There total 93 articles about 2,5-Dimethylhexane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-butylene (106-98-9,9003-28-5) + (Z)-2-Butene (590-18-1) + trans-2-Butene (624-64-6) + Isobutane (75-28-5,40921-86-6) + 2,2-dimethylpropane (463-82-1) + methyl-cyclopentane (96-37-7) + n-butane (106-97-8,9003-29-6,9021-92-5) → 2,2,6-trimethyloctane (62016-28-8) + 2,4-dimethylpentane (108-08-7) + 2-Methylhexane (591-76-4) + 2,3,3-Trimethyl-pentane (560-21-4) + 2,3,4-trimethylpentane (565-75-3) + 2,2,4-trimethylpentane (540-84-1) + 2,5-dimethylhexane (592-13-2) + 2,3,4-trimethylhexane (921-47-1) + heptane, 3,3,5-trimethyl- (7154-80-5) + 2,3,5-trimethylheptane (20278-85-7) + 2,3,6-trimethylheptane (4032-93-3) + 2,2,4-trimethylheptane (14720-74-2) + 2,3-dimethyl pentane (565-59-3) + 2,3-dimethylhexane (584-94-1,116724-01-7) + 2,4-dimethylhexane (589-43-5) + methylbutane (78-78-4) + 3-methylpentane (96-14-0) + 2-Methylpentane (107-83-5) + 2,3-dimethylbutane (79-29-8) + triptane (464-06-2) + 2,4-dimethylheptane (2213-23-2) + 2,6-dimethylheptane (1072-05-5) + 2,2,5-trimethylhexane (3522-94-9) + cyclohexane (110-82-7,25012-93-5)

Guidance literature:

sulfuric acid; In water; at 1.65666 ℃; under 2963.34 Torr; Product distribution / selectivity;

Reference yield:

1,5-Hexadien (592-42-7) → 2-methylheptane (592-27-8) + 2,5-dimethylhexane (592-13-2) + para-xylene (106-42-3) + ethylbenzene (100-41-4,27536-89-6) + m-xylene (108-38-3,104809-90-7) + toluene (108-88-3,15644-74-3,16713-13-6)

Guidance literature:

platinum; at 399.9 ℃; Product distribution; Mechanism; further product;

Reference yield:

1-butylene (106-98-9,9003-28-5) → 2,4-dimethylpentane (108-08-7) + 2,2-dimethylhexane (590-73-8) + 2-methylheptane (592-27-8) + 2,3,3-Trimethyl-pentane (560-21-4) + 2,2,3-trimethylpentane (564-02-3) + 3,3-dimethylhexane (563-16-6) + 2,3,4-trimethylpentane (565-75-3) + 2-methyl-3-ethylpentane (609-26-7) + 4-methylheptane (589-53-7) + octane (111-65-9) + 2,2,4-trimethylpentane (540-84-1) + 2,5-dimethylhexane (592-13-2) + 3,4-dimethylhexane (583-48-2) + 2,3-dimethylhexane (584-94-1,116724-01-7) + 2,4-dimethylhexane (589-43-5) + 3-methylheptane (589-81-1)

Guidance literature:

1-butylene; With water; at 25 - 40 ℃;

at 125 - 240 ℃; under 52505.3 Torr;

With hydrogen; 0.5% Pt/Al2O3;

upstream raw materials:

2-iodo-propane

isopentyl iodide

1-butylene

Isobutane

Downstream raw materials:

2,5-dimethyl-2,5-dihydroperoxyhexane

5-hydroperoxy-2,5-dimethyl-hexan-2-ol

2-Hydroperoxy-2,5-dimethylhexane

ethane

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