2,4-Dimethylheptane

Base Information

• Chemical Name: 2,4-Dimethylheptane
• CAS No.: 2213-23-2
• Molecular Formula: C9H20
• Molecular Weight: 128.258
• Hs Code.: 2901100000
• European Community (EC) Number: 623-649-7
• DSSTox Substance ID: DTXSID10862873
• Nikkaji Number: J96.500F
• Wikidata: Q2813779
• Metabolomics Workbench ID: 5307
• Mol file: 2213-23-2.mol

Synonyms:2,4-DIMETHYLHEPTANE;2213-23-2;Heptane, 2,4-dimethyl-;2,4-DIMETHYL HEPTANE;2,4-dimethylheptane';AUKVIBNBLXQNIZ-UHFFFAOYSA-;AMY6077;DTXSID10862873;CHEBI:141558;CAA21323;LMFA11000612;MFCD00048738;AKOS028110008;CS-W004343;D1204;FT-0694447;F17729;Q2813779

Chemical Property of 2,4-Dimethylheptane

Chemical Property:

• Vapor Pressure: 10.3mmHg at 25°C
• Melting Point: -112.99°C
• Refractive Index: 1.4030-1.4040
• Boiling Point: 133°C
• Flash Point: 51.7°C
• PSA: 0.00000
• Density: 0,72 g/cm3
• LogP: 3.46870
• Solubility.: soluble in Ether,Alcohol,Benzene,Acetone
• Water Solubility.: 2.026mg/L(25 oC)
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 128.156500638
• Heavy Atom Count: 9
• Complexity: 55.1

Purity/Quality:

98% ^*data from raw suppliers

2,4-Dimethylheptane ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Dimethylheptane

There total 4 articles about 2,4-Dimethylheptane 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:

propane (74-98-6) → nonane (111-84-2) + 2,3,5-trimethylhexane (1069-53-0) + 3-methylheptane (589-81-1) + 2,2-dimethyl-3-pentanol (3970-62-5) + 2,4-dimethylheptane (2213-23-2) + 4-methyloctane (2216-34-4) + 2,4-dimethyl-3-ethylpentane (1068-87-7) + S-(-)-dihydrocitronellol (68680-98-8)

Guidance literature:

at 20 ℃; under 760.051 Torr; Electric arc;

upstream raw materials:

1-butylene

(Z)-2-Butene

trans-2-Butene

Isobutane

Refernces

• 1、 -. "Paraffin alkylation". Page/Page column 7. . Retrieved 2008/06/13.