2-Methylheptadecane

Base Information

• Chemical Name: 2-Methylheptadecane
• CAS No.: 1560-89-0
• Molecular Formula: C18H38
• Molecular Weight: 254.5
• Hs Code.: 2901100000
• European Community (EC) Number: 276-354-7
• NSC Number: 125393
• UNII: GK7FXL06Y8
• DSSTox Substance ID: DTXSID3073266
• Nikkaji Number: J567C
• Wikidata: Q68757516
• Metabolomics Workbench ID: 5042
• Mol file: 1560-89-0.mol

Synonyms:2-METHYLHEPTADECANE;Heptadecane, 2-methyl-;1560-89-0;Isooctadecane;2-METHYL-HEPTADECANE;GK7FXL06Y8;EINECS 276-354-7;NSC 125393;NSC-125393;AI3-35565;72123-30-9;Hexadecane, dimethyl-;NSC125393;UNII-GK7FXL06Y8;DTXSID3073266;RJWUMFHQJJBBOD-UHFFFAOYSA-N;LMFA11000344;Heptadecane, 2-methyl- (8CI)(9CI);FT-0736147

Chemical Property of 2-Methylheptadecane

Chemical Property:

• Vapor Pressure: 0.00153mmHg at 25°C
• Melting Point: 5.7 °C
• Refractive Index: 1.436
• Boiling Point: 304.9 °C at 760 mmHg
• Flash Point: 108.9 °C
• PSA: 0.00000
• Density: 0.78 g/cm³
• LogP: 7.12370
• XLogP3: 9.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 14
• Exact Mass: 254.297351212
• Heavy Atom Count: 18
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-heptadecane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(C)C
• Uses: 2-Methyl-heptadecane is a tiger moth pheromone. It can be used in analytical study and as technical or engineered material use for compounds and properties of diesel surrogate fuels for engine testing and chem.-kinetic modeling (erratum). It can also be used for microwave-enhanced pyrolysis of natural algae from water blooms.

Technology Process of 2-Methylheptadecane

There total 15 articles about 2-Methylheptadecane 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: 85.0%

2-methyl-heptadecan-6-one (73707-23-0) → 2-methylheptadecane (1560-89-0)

Guidance literature:

With sodium hydroxide; hydrazine hydrate; In diethylene glycol; at 190 - 200 ℃; for 4h;

DOI:10.1271/bbb1961.44.2231

Reference yield: 72.0%

2-methylheptadecan-7-one (350716-39-1) → 2-methylheptadecane (1560-89-0)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; In ethylene glycol; for 6h; Heating;

Reference yield: 47.8%

n-hexylmagnesium bromide (3761-92-0) + 1-bromo-10-methylundecane (124388-95-0) → 2-methylheptadecane (1560-89-0)

Guidance literature:

dilithium tetrachlorocuprate; In tetrahydrofuran; at -10 ℃; for 3h;

upstream raw materials:

2-methyl-heptadec-7-yne

n-hexylmagnesium bromide

1-bromo-10-methylundecane

2-methyl-heptadecan-6-one

Refernces

• 1、 Qian, Eika W.,Chen, Ning,Gong, Shaofeng. "Role of support in deoxygenation and isomerization of methyl stearate over nickel-molybdenum catalysts". . p. 76 - 85. Retrieved 2014.
• 2、 Wu, Guangjun,Zhang, Nan,Dai, Weili,Guan, Naijia,Li, Landong. "Construction of bifunctional co/h-zsm-5 catalysts for the hydrodeoxygenation of stearic acid to diesel-range alkanes". . p. , 2179. Retrieved 2018/10/20.