2-Methyloctane

Base Information

• Chemical Name: 2-Methyloctane
• CAS No.: 3221-61-2
• Molecular Formula: C9H20
• Molecular Weight: 128.258
• Hs Code.: 2901100000
• European Community (EC) Number: 221-748-6,252-053-6,271-364-8
• NSC Number: 23695
• UN Number: 3295
• UNII: AV5KXW7I9L
• DSSTox Substance ID: DTXSID30863125
• Nikkaji Number: J96.499I
• Wikipedia: 2-Methyloctane
• Wikidata: Q2813823
• Metabolomics Workbench ID: 44950
• Mol file: 3221-61-2.mol

Synonyms:2-Methyloctane;NSC 23695

Chemical Property of 2-Methyloctane

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 6.73mmHg at 25°C
• Melting Point: -80 C
• Boiling Point: 143.3°Cat760mmHg
• Flash Point: 25.2°C
• PSA: 0.00000
• Density: 0.722g/cm³
• LogP: 3.61280
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 128.156500638
• Heavy Atom Count: 9
• Complexity: 46

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB,Solvents -> Aliphatics,Saturated (
• Canonical SMILES: CCCCCCC(C)C

Technology Process of 2-Methyloctane

There total 43 articles about 2-Methyloctane 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: 95.0%

prenyl bromide (870-63-3) → 2-methyloctane (3221-61-2)

Guidance literature:

With lithium aluminium tetrahydride; silver perchlorate; In tetrahydrofuran; at -50 ℃; for 2h;

DOI:10.1246/cl.1983.1877

Reference yield: 95.0%

2-bromo-2-methyloctane (148808-73-5) → 2-methyloctane (3221-61-2)

Guidance literature:

With lithium aluminium tetrahydride; silver perchlorate; In tetrahydrofuran; at -50 ℃; for 2h;

DOI:10.1246/cl.1983.1877

Reference yield: 95.0%

3,3-dimethyl-allyl chloride (503-60-6) → 2-methyloctane (3221-61-2)

Guidance literature:

With lithium aluminium tetrahydride; silver perchlorate; In tetrahydrofuran; at -50 ℃; for 2h;

DOI:10.1246/cl.1983.1877

upstream raw materials:

2-methyl-2-octanol

naphthalene-2-sulfonate

2-methyl-1-octene

5-methoxy-5-methylhex-1-en-3-yne

Downstream raw materials:

2-methyl-2-octanol

Refernces

• 1、 Lipshutz, Bruce H.,Whitney, Scott,Kozlowski, Joseph A.,Breneman Curt M.. "FURTHER INSIGHT INTO LOWER ORDER CUPRATE CHEMISTRY; ON THE USE OF CuBr*Me2S VS CuI EN ROUTE TO R2CuLi". . p. 4273 - 4276. Retrieved 1986.
• 2、 Li, Na,Jiao, Feng,Pan, Xiulian,Chen, Yuxiang,Feng, Jingyao,Li, Gen,Bao, Xinhe. "High-Quality Gasoline Directly from Syngas by Dual Metal Oxide–Zeolite (OX-ZEO) Catalysis". supporting information. p. 7400 - 7404. Retrieved 2019/05/10.
• 3、 Zhu, Chenjie,Shen, Tao,Liu, Dong,Wu, Jinglan,Chen, Yong,Wang, Linfeng,Guo, Kai,Ying, Hanjie,Ouyang, Pingkai. "Production of liquid hydrocarbon fuels with acetoin and platform molecules derived from lignocellulose". supporting information. p. 2165 - 2174. Retrieved 2016/04/19.