2,2,3-Trimethylpentane

Base Information

• Chemical Name: 2,2,3-Trimethylpentane
• CAS No.: 564-02-3
• Molecular Formula: C8H18
• Molecular Weight: 114.231
• European Community (EC) Number: 209-266-4
• NSC Number: 73954
• UNII: 1P0B7R5K5T
• DSSTox Substance ID: DTXSID60862202
• Nikkaji Number: J44.095G
• Mol file: 564-02-3.mol

Synonyms:2,2,3-TRIMETHYLPENTANE;564-02-3;Pentane, 2,2,3-trimethyl-;UNII-1P0B7R5K5T;1P0B7R5K5T;EINECS 209-266-4;NSC 73954;NSC-73954;NSC73954;Trimethylpentane;99%;Pentane,2,3-trimethyl-;2-TERT-BUTYLBUTANE;DTXSID60862202;(CH3)3CCH(CH3)CH2CH3;MFCD00059241;AKOS015903451;(+/-)-2,2,3-TRIMETHYLPENTANE;FT-0609093;T0689;T72627;Q2813762

Chemical Property of 2,2,3-Trimethylpentane

Chemical Property:

• Melting Point: -112.27oC
• Boiling Point: 110.1°Cat760mmHg
• Flash Point: 8.7°C
• PSA: 0.00000
• Density: 0.709g/cm³
• LogP: 3.07860
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 114.140850574
• Heavy Atom Count: 8
• Complexity: 56.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2,3-Trimethylpentane

There total 34 articles about 2,2,3-Trimethylpentane 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) → 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;

Reference yield:

butene-2 (107-01-7) + Isobutane (75-28-5,40921-86-6) → 2,3,3-Trimethyl-pentane (560-21-4) + 2,2,3-trimethylpentane (564-02-3) + 2,3,4-trimethylpentane (565-75-3) + 2,2,4-trimethylpentane (540-84-1) + 2,5-dimethylhexane (592-13-2) + n-butane (106-97-8,9003-29-6,9021-92-5)

Guidance literature:

With La-USY zeolite; at 74.84 ℃; for 20h; under 18751.9 Torr; Reagent/catalyst; Time;

DOI:10.1021/cs500200k

Reference yield:

butene-2 (107-01-7) + Isobutane (75-28-5,40921-86-6) → 2,3,3-Trimethyl-pentane (560-21-4) + 2,2,3-trimethylpentane (564-02-3) + 2,3,4-trimethylpentane (565-75-3) + 2,2,4-trimethylpentane (540-84-1) + 2,5-dimethylhexane (592-13-2) + 2,3-dimethylhexane (584-94-1,116724-01-7) + n-butane (106-97-8,9003-29-6,9021-92-5)

Guidance literature:

With H-USY zeolite; at 74.84 ℃; for 20h; under 18751.9 Torr; Time;

DOI:10.1021/cs500200k

upstream raw materials:

1-butylene

Isobutane

propene

methylbutane

Downstream raw materials:

triptane

tert-butylbenzene

Isobutane

o-xylene

Refernces

• 1、 Pines,Csicsery. "". . p. 313,316. Retrieved 1962.
• 2、 Schuessler, Florian,Schallmoser, Stefan,Shi, Hui,Haller, Gary L.,Ember, Erika,Lercher, Johannes A.. "Enhancement of dehydrogenation and hydride transfer by La3+ cations in zeolites during acid catalyzed alkane reactions". . p. 1743 - 1752. Retrieved 2014/06/24.