2,3-Dimethylhexane

Base Information

• Chemical Name: 2,3-Dimethylhexane
• CAS No.: 584-94-1
• Molecular Formula: C₈H₁₈
• Molecular Weight: 114.231
• European Community (EC) Number: 209-547-1
• NSC Number: 74170
• DSSTox Substance ID: DTXSID40862240
• Nikkaji Number: J43.423J
• Wikipedia: 2,3-Dimethylhexane
• Wikidata: Q2813777
• Metabolomics Workbench ID: 47837
• Mol file: 584-94-1.mol

Synonyms:2,3-DIMETHYLHEXANE;584-94-1;xi-2,3-Dimethylhexane;Hexane, 2,3-dimethyl-;EINECS 209-547-1;NSC 74170;2,3-DIMETHYL HEXANE;NSC74170;2,3-dimethyl-hexane;DTXSID40862240;CHEBI:173398;MFCD00039951;NSC-74170;AKOS024420965;D1225;FT-0632442;T71099;Q2813777

Chemical Property of 2,3-Dimethylhexane

Chemical Property:

• Boiling Point: 115 °C
• Flash Point: 7 °C
• PSA: 0.00000
• Density: 0.71
• 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: 46

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,3-Dimethylhexane

There total 45 articles about 2,3-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:

propane (74-98-6) → 2,3,3-trimethyloctane + 2-Methylhexane (591-76-4) + 2,3,3-Trimethyl-pentane (560-21-4) + 3,3-dimethylhexane (563-16-6) + 2,3,5-trimethylhexane (1069-53-0) + 4,4-dimethyloctane (15869-95-1) + 2,3,5-trimethylheptane (20278-85-7) + 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) + 2-Methylpentane (107-83-5) + triptane (464-06-2) + 4-methyloctane (2216-34-4) + 3-methyloctane (2216-33-3,116783-15-4) + 2,3,3-trimethylhexane (16747-28-7) + 2,3-dimethylheptane (3074-71-3) + 2,4,6-trimethyloctane (62016-37-9) + tetramethyl-2,3,6,7 octane (52670-34-5) + 3,6-dimethyldecane (17312-53-7)

Guidance literature:

at 20 ℃; under 760.051 Torr; Electric arc;

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:

1-butylene

Isobutane

propene

methylbutane

Downstream raw materials:

o-xylene

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