2,2,4,6,6-Pentamethylheptane

Base Information

• Chemical Name: 2,2,4,6,6-Pentamethylheptane
• CAS No.: 13475-82-6
• Deprecated CAS: 132702-84-2
• Molecular Formula: C12H26
• Molecular Weight: 170.338
• Hs Code.: 2901100000
• European Community (EC) Number: 236-757-0
• UNII: A8289P68Y2
• DSSTox Substance ID: DTXSID0042034
• Nikkaji Number: J133.533B
• Wikidata: Q27147086
• Mol file: 13475-82-6.mol

Synonyms:2,2,4,6,6-pentamethylheptane;PMH cpd

Chemical Property of 2,2,4,6,6-Pentamethylheptane

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 1.42mmHg at 25°C
• Melting Point: -67°C
• Refractive Index: n20/D 1.419
• Boiling Point: 177.1 °C at 760 mmHg
• Flash Point: 58.4 °C
• PSA: 0.00000
• Density: 0.75g/cm³
• LogP: 4.49490
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Sparingly), Hexanes (Slightly)
• Water Solubility.: 25ug/L(25 oC)
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 170.203450829
• Heavy Atom Count: 12
• Complexity: 104

Purity/Quality:

99.9% ^*data from raw suppliers

2,2,4,6,6-Pentamethylheptane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn; F
• Hazard Codes: Xn,F
• Statements: 10-65
• Safety Statements: 62-24/25-23

MSDS Files:

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Saturated (>C11)
• Canonical SMILES: CC(CC(C)(C)C)CC(C)(C)C
• Uses: 2,2,4,6,6-Pentamethylheptane is a pentamethyl derivative of Heptane (H281145) and a cold press byproduct with potential antimicrobial properties obtained from the edible oil industry.

Technology Process of 2,2,4,6,6-Pentamethylheptane

There total 5 articles about 2,2,4,6,6-Pentamethylheptane 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:

1,1-dineopentylethylene (141-70-8) → Permethyl 99A (13475-82-6)

Guidance literature:

With nickel; at 150 ℃; under 95616 Torr; Hydrogenation;

Reference yield:

3-tert-Butyl-2,4,4-trimethyl-pent-2-ene (2437-52-7) → Permethyl 99A (13475-82-6)

Guidance literature:

With nickel; Hydrogenation;

Reference yield:

isobutene (115-11-7,15220-85-6) → 2,2,4-trimethylheptane (14720-74-2) + Permethyl 99A (13475-82-6)

Guidance literature:

With sulfuric acid; Hydrieren des Reaktionsgemisches in Gegenwart von Nickel bei 150grad und 16 at;

upstream raw materials:

1,1-dineopentylethylene

3-tert-Butyl-2,4,4-trimethyl-pent-2-ene

isobutene