2,2,5-Trimethylhexane

Base Information

• Chemical Name: 2,2,5-Trimethylhexane
• CAS No.: 3522-94-9
• Molecular Formula: C9H20
• Molecular Weight: 128.258
• Hs Code.: 2901100000
• European Community (EC) Number: 222-537-1
• NSC Number: 65657
• UNII: AGW1Z6985E
• DSSTox Substance ID: DTXSID0073326
• Nikkaji Number: J44.167H
• Wikidata: Q2813763
• RXCUI: 2557376
• Mol file: 3522-94-9.mol

Synonyms:2,2,5-TRIMETHYLHEXANE;3522-94-9;Hexane, 2,2,5-trimethyl-;EINECS 222-537-1;2,2,5-trimethyl hexane;NSC 65657;BRN 1730924;UNII-AGW1Z6985E;AGW1Z6985E;C9H20;NSC-65657;4-01-00-00460 (Beilstein Handbook Reference);NSC65657;2,5-Trimethylhexane;Hexane,2,5-trimethyl-;2,2,5-trimethyl-hexane;Trimethylhexane, 2,2,5-;DTXSID0073326;MFCD00026525;AKOS015903475;LS-75173;FT-0609123;T0475;T72348;Q2813763

Chemical Property of 2,2,5-Trimethylhexane

Chemical Property:

• Vapor Pressure: 16mmHg at 25°C
• Melting Point: -116.8oC
• Boiling Point: 122°C
• Flash Point: 13°C
• PSA: 0.00000
• Density: 0,71 g/cm3
• LogP: 3.46870
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 128.156500638
• Heavy Atom Count: 9
• Complexity: 64.6

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s): TLV: 200 ppm. Flammable, dangerous fire risk; the 2,3,3-, 2,3,4-, and 3,3,4-isomers are less flammable.
• Hazard Codes: TLV: 200 ppm. Flammable, dangerous fire risk; the 2,3,3-, 2,3,4-, and 3,3,4-isomers are less flammable.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,2,5-Trimethylhexane

There total 34 articles about 2,2,5-Trimethylhexane 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:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 3,5-dimethylheptane (926-82-9) + 3,4-dimethylheptane (922-28-1) + nonane (111-84-2) + 2-methyloctane (3221-61-2) + 3,3,4-trimethylhexane (16747-31-2) + 2,3,5-trimethylhexane (1069-53-0) + 3-ethyl-2-methyl-hexane (16789-46-1) + 2,2,4-trimethylhexane (16747-26-5) + 2,5-dimethylheptane (2216-30-0,132854-35-4) + 4-ethyl-2-methylhexane (3074-75-7) + 2,4-dimethylheptane (2213-23-2) + 4-methyloctane (2216-34-4) + 3-ethylheptane (15869-80-4) + 2,6-dimethylheptane (1072-05-5) + 3-methyloctane (2216-33-3,116783-15-4) + 2,3-dimethylheptane (3074-71-3) + 2,4-dimethyl-3-ethylpentane (1068-87-7) + 2,2,5-trimethylhexane (3522-94-9) + 2,2-dimethylheptane (1071-26-7)

Guidance literature:

propene; With water; at 25 - 40 ℃;

at 125 - 172 ℃; under 52505.3 Torr;

With hydrogen; 0.5% Pt/Al2O3;

Reference yield:

butene-2 (107-01-7) + methylbutane (78-78-4) + sulfuric acid (7664-93-9) → 2-methyloctane (3221-61-2) + decane (124-18-5) + 2-Methylpentane (107-83-5) + 2,2,5-trimethylhexane (3522-94-9)

Guidance literature:

at 10 ℃;

upstream raw materials:

tetralin

tertiary butyl chloride

bis-(3-methylbutyl)zinc

2,5,5-trimethyl-hexa-1,3-diene

Downstream raw materials:

3,3-dimethyl-butan-2-one

5,5-dimethyl-2-hexanone

2,2,5-trimethylhexan-3-one

2,5,5-trimethylhexan-3-one

Refernces

• 1、 Liu, Ying,Li, Rui,Sun, Hongjuan,Hu, Ruisheng. "Effects of catalyst composition on the ionic liquid catalyzed isobutane/2-butene alkylation". . p. 133 - 139. Retrieved 2015/02/19.
• 2、 -. "Paraffin alkylation". Page/Page column 7. . Retrieved 2008/06/13.