2-Methyloctan-1-ol

Base Information

• Chemical Name: 2-Methyloctan-1-ol
• CAS No.: 818-81-5
• Molecular Formula: C9H20O
• Molecular Weight: 144.257
• European Community (EC) Number: 212-457-5
• UNII: 4FT7336DZ7
• DSSTox Substance ID: DTXSID20862425
• Nikkaji Number: J193.211J
• Wikidata: Q27259539
• Mol file: 818-81-5.mol

Synonyms:2-Methyloctan-1-ol;818-81-5;2-Methyloctanol;2-Methyl-1-octanol;1-Octanol, 2-methyl-;EINECS 212-457-5;UNII-4FT7336DZ7;4FT7336DZ7;(-)-2-methyloctanol;2-Methyl-n-octanol-1;2-Methyl-1-octanol #;SCHEMBL226264;1-HYDROXY-2-METHYLOCTANE;DTXSID20862425;MFCD02258714;AKOS013993199;DS-3200;SB83942;CS-0210362;EN300-342764;A864487;Q27259539;Z1238840360

Chemical Property of 2-Methyloctan-1-ol

Chemical Property:

• Vapor Pressure: 0.102mmHg at 25°C
• Melting Point: 6.15°C (estimate)
• Refractive Index: 1.43
• Boiling Point: 196.6 ºC at 760 mmHg
• PKA: 15.09±0.10(Predicted)
• Flash Point: 79.5 ºC
• PSA: 20.23000
• Density: 0.824 g/cm³
• LogP: 2.58520
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 144.151415257
• Heavy Atom Count: 10
• Complexity: 61.7

Purity/Quality:

99% ^*data from raw suppliers

2-methyloctan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Alcohols (
• Canonical SMILES: CCCCCCC(C)CO

Technology Process of 2-Methyloctan-1-ol

There total 57 articles about 2-Methyloctan-1-ol 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: 97.0%

methanol (67-56-1) + octanol (111-87-5) → 2-methyloctan-1-ol (818-81-5)

Guidance literature:

With C₂₄H₂₄IrN₄O₄⁽¹⁺⁾*BF₄^(1-); sodium t-butanolate; at 140 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1007/s11426-021-1017-0

Reference yield: 83.0%

methyl 2-methyloctanoate (2177-86-8) → 2-methyloctan-1-ol (818-81-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/jm970212f

Reference yield: 81.0%

oct-1-ene (111-66-0,25068-25-1) + carbon monoxide (201230-82-2) → octane (111-65-9) + 2-methyloctan-1-ol (818-81-5) + nonyl alcohol (143-08-8)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; 2-(dicyclohexylphosphino)-1-methyl-1H-imidazole; water; hydrogen; lithium chloride; In 1-methyl-pyrrolidin-2-one; at 130 ℃; for 20h; under 60 Torr; Reagent/catalyst; Temperature; Concentration; regioselective reaction; Autoclave;

DOI:10.1002/anie.201207133

upstream raw materials:

3-methyl-octanoic acid ethyl ester

ethyl 2-methylcaprylate

methanol

octanol

Downstream raw materials:

2-methyl-1-octanal

(10RS)-10-methylhexadecanoic acid

1-O-benzyl-3-O-(heptadec-16-en-1-yl)-2-O-[(10RS)-10-methylhexadecyl]-sn-glycerol

1-O-benzyl-3-O-[(10RS)-10-methylheptadec-16-en-1-yl]-2-O-[(10RS)-methylhexadecyl]-sn-glycerol

Refernces

• 1、 Beller, Matthias,Huang, Weiheng,Jackstell, Ralf,Jiao, Haijun,Tian, Xinxin. "Iridium-Catalyzed Domino Hydroformylation/Hydrogenation of Olefins to Alcohols: Synergy of Two Ligands". supporting information. . Retrieved 2022/01/13.
• 2、 Chen, Jing,Zhou, Lei,Liu, Yi-Fan,Hou, Zhao-Wei,Li, Wei,Mbadinga, Serge Maurice,Zhou, Jing,Yang, Tao,Liu, Jin-Feng,Yang, Shi-Zhong,Wu, Xiao-Lin,Gu, Ji-Dong,Mu, Bo-Zhong. "Synthesis and mass spectra of rearrangement bio-signature metabolites of anaerobic alkane degradation via fumarate addition". . . Retrieved 2020/05/01.