2,6-Dimethyloctane

Base Information

• Chemical Name: 2,6-Dimethyloctane
• CAS No.: 2051-30-1
• Molecular Formula: C10H22
• Molecular Weight: 142.285
• Hs Code.: 2901100000
• European Community (EC) Number: 623-659-1
• NSC Number: 91459
• DSSTox Substance ID: DTXSID7058628
• Nikkaji Number: J150C
• Wikidata: Q2876225
• Mol file: 2051-30-1.mol

Synonyms:2,6-DIMETHYLOCTANE;2051-30-1;Octane, 2,6-dimethyl-;NSC 91459;NSC91459;Octane,6-dimethyl-;2,6-Dimethyl octane;DTXSID7058628;CAA05130;MFCD00042892;NSC-91459;R-(-)-2,6-DIMETHYLOCTANE;AKOS015841663;Octane, 2,6-dimethyl- (8CI)(9CI);D1212;FT-0691484;T70540;J-013372;Q2876225

Chemical Property of 2,6-Dimethyloctane

Chemical Property:

• Vapor Pressure: 3.21mmHg at 25°C
• Melting Point: -53.15°C
• Refractive Index: 1.3990-1.4130
• Boiling Point: 159.7°Cat760mmHg
• Flash Point: 82.4°C
• PSA: 0.00000
• Density: 0.732g/cm³
• LogP: 3.85880
• Water Solubility.: 89.16ug/L(temperature not stated)
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 142.172150702
• Heavy Atom Count: 10
• Complexity: 64.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

Myrcane ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCC(C)CCCC(C)C
• Uses: Myrcane is a useful synthetic intermediate. It was used to synthesize alcohols via C-H hydroxylation of alicyclic and aliphatics compounds.

Technology Process of 2,6-Dimethyloctane

There total 21 articles about 2,6-Dimethyloctane 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:

phytane (638-36-8) → norfarnesane (6864-53-5) + 2,6-dimethyloctane (2051-30-1) + 2,6,10-trimethyldodecane (3891-98-3) + 2,6-Dimethylnonane (17302-28-2) + 2,6,11-trimethyl-tridecane (2883-04-7) + 2,6-dimethyl-undecane (17301-23-4)

Guidance literature:

at 330 - 400 ℃; for 6h; Sealed tube;

DOI:10.1134/S0965544116080077

Reference yield:

isophytol (505-32-8) → norfarnesane (6864-53-5) + 2,6-dimethyloctane (2051-30-1) + 2,6,10-trimethyldodecane (3891-98-3) + 2,6-Dimethylnonane (17302-28-2) + 2,6-dimethyl-undecane (17301-23-4) + 2,6,10-trimethyl tridecane (3891-99-4) + norpristane (3892-00-0)

Guidance literature:

at 330 - 400 ℃; for 6h; Sealed tube;

DOI:10.1134/S0965544116080077

Reference yield:

(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol (253686-88-3,844467-91-0) → norfarnesane (6864-53-5) + 2,6-dimethyloctane (2051-30-1) + 2,6,10-trimethyldodecane (3891-98-3) + pristane (1921-70-6) + 2,6-Dimethylnonane (17302-28-2) + 2,6-dimethyl-undecane (17301-23-4) + 2,6,10-trimethyl tridecane (3891-99-4) + norpristane (3892-00-0)

Guidance literature:

at 330 - 400 ℃; for 6h; Sealed tube;

DOI:10.1134/S0965544116080077

upstream raw materials:

3,7-dimethylocta-1,6-dien-3-ol

Geraniol

dihydrolinalool

carbon dioxide

Downstream raw materials:

tetrahydrolinalool

2,6-dimethyl-2-octanol

(R)-3,7-dimethyl-3-octanol

(S)-(-)-3,7-dimethyloctan-3-ol

Refernces

• 1、 Oya, Shin-Ichi,Kanno, Daisuke,Watanabe, Hideo,Tamura, Masazumi,Nakagawa, Yoshinao,Tomishige, Keiichi. "Catalytic Production of Branched Small Alkanes from Biohydrocarbons". . p. 2472 - 2475. Retrieved 2015/08/24.
• 2、 Bogel-Lukasik,Gomes Da Silva,Nogueira,Bogel-Lukasik,Nunes Da Ponte. "Study on selectivity of β-myrcene hydrogenation in high-pressure carbon dioxide catalysed by noble metal catalysts". experimental part. p. 1847 - 1856. Retrieved 2011/03/19.