2-Ethylheptan-1-ol

Base Information

• Chemical Name: 2-Ethylheptan-1-ol
• CAS No.: 817-60-7
• Molecular Formula: C9H20 O
• Molecular Weight: 144.257
• European Community (EC) Number: 212-444-4
• UNII: CI3S690F5O
• DSSTox Substance ID: DTXSID601002132
• Nikkaji Number: J193.208J
• Wikidata: Q27275472
• Mol file: 817-60-7.mol

Synonyms:2-Ethylheptan-1-ol;2-ethylheptanol;1-Heptanol, 2-ethyl-;817-60-7;2-ethyl-1-heptanol;EINECS 212-444-4;UNII-CI3S690F5O;CI3S690F5O;octane-3-methanol;2-Ethylheptanol-1;SCHEMBL1050005;DTXSID601002132;AKOS015401398;Q27275472

Chemical Property of 2-Ethylheptan-1-ol

Chemical Property:

• Vapor Pressure: 0.102mmHg at 25°C
• Melting Point: 6.15°C (estimate)
• Refractive Index: 1.4301
• Boiling Point: 196.6°C at 760 mmHg
• Flash Point: 79.5°C
• PSA: 20.23000
• Density: 0.824g/cm³
• LogP: 2.58520
• XLogP3: 3.2
• 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:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CC)CO

Technology Process of 2-Ethylheptan-1-ol

There total 14 articles about 2-Ethylheptan-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: 99.0%

2-ethylheptanoic acid (3274-29-1) → 2-ethylheptanol (817-60-7)

Guidance literature:

With hydrogen; (acetylacetonato)dicarbonylrhodium (l); molybdenum hexacarbonyl; In 1,4-dioxane; at 200 ℃; for 4h; under 112511 Torr; Further Variations:; Catalysts; Temperatures; Pressures; Product distribution;

DOI:10.1002/1615-4169(200207)344:5<525::AID-ADSC525>3.0.CO;2-U

Reference yield: 96.0%

3,6-diethyltetrahydro-2H-pyran-2-one (16429-10-0) → 6-Methyloctan-3-ol (40225-75-0) + 2-ethylheptanol (817-60-7) + 2-ethyl-1,5-heptanediol

Guidance literature:

With hydrogen; (acetylacetonato)dicarbonylrhodium (l); molybdenum hexacarbonyl; In 1,4-dioxane; at 180 ℃; for 2h; under 112511 Torr; Further Variations:; Pressures; Temperatures; Mo/Rh ratio; Product distribution;

DOI:10.1002/1615-4169(200207)344:5<525::AID-ADSC525>3.0.CO;2-U

Reference yield: 15.0%

2-ethylheptan-4-olide (484682-14-6) → 6-methyl-4-octanol (66793-82-6) + 2-ethylheptanol (817-60-7) + 2-ethyl-1,4-heptanediol (15966-04-8)

Guidance literature:

With hydrogen; (acetylacetonato)dicarbonylrhodium (l); molybdenum hexacarbonyl; In 1,4-dioxane; at 180 ℃; for 5h; under 112511 Torr;

DOI:10.1002/1615-4169(200207)344:5<525::AID-ADSC525>3.0.CO;2-U

upstream raw materials:

2-ethylheptanoic acid

formaldehyd

2-ethyl-1-hexene

3,6-diethyltetrahydro-2H-pyran-2-one

Downstream raw materials:

2-ethylheptanal

2-ethylheptanoic acid

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、 Parfenova, Lyudmila V.,Kovyazin, Pavel V.,Tyumkina, Tatyana V.,Berestova, Tatyana V.,Khalilov, Leonard M.,Dzhemilev, Usein M.. "Asymmetric alkene cycloalumination by AlEt3, catalyzed with neomenthylindenyl zirconium η5-complexes". . p. 19 - 25. Retrieved 2013/02/21.