2,3,6-Trimethylheptane.

Base Information

• Chemical Name: 2,3,6-Trimethylheptane.
• CAS No.: 4032-93-3
• Molecular Formula: C10H22
• Molecular Weight: 142.285
• Hs Code.: 2901100000
• DSSTox Substance ID: DTXSID00871050
• Nikkaji Number: J125.033G
• Wikidata: Q5651197
• Mol file: 4032-93-3.mol

Synonyms:Heptane, 2,3,6-trimethyl-;Heptane,2,3,6-trimethyl;2,3,6-trimethyl-heptane;2,3,6-Trimethylheptan;

Chemical Property of 2,3,6-Trimethylheptane.

Chemical Property:

• Vapor Pressure: 3.58mmHg at 25°C
• Melting Point: -53.99°C
• Refractive Index: 1.4108
• Boiling Point: 157.3°C at 760 mmHg
• Flash Point: 41.5°C
• PSA: 0.00000
• Density: 0.73g/cm³
• LogP: 3.71470
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 142.172150702
• Heavy Atom Count: 10
• Complexity: 72.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2,3,6-Trimethylheptane.

There total 2 articles about 2,3,6-Trimethylheptane. 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:

1-bromo-2,3-dimethyl-2-butene (5072-70-8) → 2,3,6-trimethylheptane (4032-93-3)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether

2: platinum/charcoal / 160 - 170 °C / Hydrogenation

With platinum on activated charcoal; diethyl ether;

upstream raw materials:

1-butylene

(Z)-2-Butene

trans-2-Butene

Isobutane