2,4-DIMETHYLPENTANE

Base Information

• Chemical Name: 2,4-DIMETHYLPENTANE
• CAS No.: 108-08-7
• Molecular Formula: C7H16
• Molecular Weight: 100.204
• Hs Code.: 2901100000
• European Community (EC) Number: 203-548-0
• NSC Number: 61989
• UN Number: 1206
• UNII: 4JT8Q9QOHI
• DSSTox Substance ID: DTXSID2059358
• Nikkaji Number: J43.409D
• Wikipedia: 2,4-Dimethylpentane
• Wikidata: Q2813787
• Mol file: 108-08-7.mol

Synonyms:2,4-Dimethylpentane;NSC 61989;Diisopropylmethane;

Chemical Property of 2,4-DIMETHYLPENTANE

Chemical Property:

• Vapor Pressure: 3.29 psi ( 37.7 °C)
• Melting Point: -123 °C(lit.)
• Refractive Index: n20/D 1.381(lit.)
• Boiling Point: 80.494 °C at 760 mmHg
• PKA: >14 (Schwarzenbach et al., 1993)
• Flash Point: -12.222 °C
• PSA: 0.00000
• Density: 0.692 g/cm³
• LogP: 2.68850
• Solubility.: Soluble in acetone, benzene, chloroform, alcohol and ether.
• Water Solubility.: 4.41mg/L(25 oC)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 100.125200510
• Heavy Atom Count: 7
• Complexity: 29.3

Purity/Quality:

98%min ^*data from raw suppliers

2,4-Dimethylpentane >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,F,N
• Hazard Codes: F,Xn,N
• Statements: 11-38-50/53-65-67
• Safety Statements: 9-16-29-33-60-61-62

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CC(C)CC(C)C
• Uses: It is not only used for synthesizing WeiNiGuan, but also used in binder and coating industry. It is used for synthesizing resin fiber. It is also used as intermediates and adhesives in oil drop coagulation thickener.

Technology Process of 2,4-DIMETHYLPENTANE

There total 114 articles about 2,4-DIMETHYLPENTANE 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: 16.7%

methanol (67-56-1) → 2,4-dimethylpentane (108-08-7) + 2,3-dimethyl pentane (565-59-3) + Isobutane (75-28-5,40921-86-6) + methylbutane (78-78-4) + 3-methylpentane (96-14-0) + 2-Methylpentane (107-83-5) + 2,3-dimethylbutane (79-29-8) + triptane (464-06-2) + 1,2,4,5-tetramethylbenzene (95-93-2) + 1,2,3,5-Tetramethylbenzene (527-53-7) + pentamethylbenzene, (700-12-9) + Hexamethylbenzene (87-85-4)

Guidance literature:

With isopropyl alcohol; indium (III) iodide; at 200 ℃; for 2 - 3h;

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) + Isobutane (75-28-5,40921-86-6) → 2,4-dimethylpentane (108-08-7) + 2,2,4-trimethylheptane (14720-74-2) + 2,3-dimethyl pentane (565-59-3) + methylbutane (78-78-4) + 3-methylpentane (96-14-0) + 2-Methylpentane (107-83-5)

Guidance literature:

zeolite YCe; at 80 ℃; for 24h; Product distribution; Mechanism; variation of time and temperature; experiments with 13C labelled compounds;

upstream raw materials:

2,4-Dimethyl-1,3-pentadiene

propene

Isobutane

methylbutane

Downstream raw materials:

2,4-dimethyl-2-nitropentane

2,3-dimethyl pentane

diisopropyl ketone oxime

2,4-dimethyl-2-pentanol

Refernces

• 1、 Ciapetta,Hunter. "". . p. 155,156. Retrieved 1953.
• 2、 Blomsma, E.,Martens, J. A.,Jacobs, P. A.. "Reaction Mechanisms of Isomerization and Cracking of Heptane on Pd/H-Beta Zeolite". . p. 141 - 147. Retrieved 1995.
• 3、 Calingaert,Beatty. "-". . p. 51. Retrieved 1936.
• 4、 Bercaw, John E.,Hazari, Nilay,Labinger, Jay A.,Scott, Valerie J.,Sunley, Glenn J.. "Selective methylative homologation: An alternate route to alkane upgrading". . p. 11988 - 11995. Retrieved 2008.
• 5、 Parlitz, B.,Schreier, E.,Zubowa, H. -L.,Eckelt, R.,Lieske, E.,et al.. "Isomerization of n-Heptane over Pd-Loaded Silico-Alumino-Phosphate Molecular Sieves". . p. 1 - 11. Retrieved 1995.
• 6、 D'Ippolito, Silvana A.,Especel, Catherine,Vivier, Laurence,Epron, Florence,Pieck, Carlos L.. "Influence of the Br?nsted acidity, SiO2/Al 2O3 ratio and Rh-Pd content on the ring opening. Part II. Selective ring opening of methylcyclohexane". . p. 541 - 549. Retrieved 2014.
• 7、 Schmerling,West. "". . p. 4275. Retrieved 1953.
• 8、 Maier, W. F.,Bergmann, K.,Bleicher, W.,Schleyer, P. v. R.. "HETEROGENEOUS DEOXYGENATION OF KETONES". . p. 4227 - 4230. Retrieved 1981.
• 9、 Samoila,Epron,Marécot,Especel. "Influence of chlorine on the catalytic properties of supported rhodium, iridium and platinum in ring opening of naphthenes". . p. 207 - 219. Retrieved 2013/07/26.