4-Ethyl-3-octanol

Base Information

• Chemical Name: 4-Ethyl-3-octanol
• CAS No.: 19781-26-1
• Molecular Formula: C10H22 O
• Molecular Weight: 158.284
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID00941565
• Mol file: 19781-26-1.mol

Synonyms:4-Ethyl-3-octanol;4-ethyloctan-3-ol;19781-26-1;3-Octanol, 4-ethyl-;4-Ethyl-3-octanol, threo + erythro;SCHEMBL2396809;DTXSID00941565;MFCD00046672;4-Ethyl-3-octanol, erythro + threo;AKOS037645111;SB85098;AS-57220;CS-0449344;FT-0637903;A880019

Chemical Property of 4-Ethyl-3-octanol

Chemical Property:

• Vapor Pressure: 0.0561mmHg at 25°C
• Boiling Point: 206.4°Cat760mmHg
• Flash Point: 87.9°C
• PSA: 20.23000
• Density: 0.824g/cm³
• LogP: 2.97370
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 158.167065321
• Heavy Atom Count: 11
• Complexity: 80.9

Purity/Quality:

99%min ^*data from raw suppliers

4-Ethyl-3-octanol, threo + erythro, 99% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)C(CC)O

Technology Process of 4-Ethyl-3-octanol

There total 3 articles about 4-Ethyl-3-octanol 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: 96.4%

4-ethyl-1-octyn-3-ol (5877-42-9) → 4-ethyloctan-3-ol (19781-26-1) + 4-ethyloct-1-en-3-ol (58046-43-8)

Guidance literature:

4-ethyl-1-octyn-3-ol; With carbon monoxide; hydrogen; G₈₃C; at 94 ℃; under 5250.53 Torr;

Pd#Bi; at 76 ℃; under 4125.41 Torr;

Reference yield:

d,l-2-ethylhexanal (123-05-7) → 4-ethyloctan-3-ol (19781-26-1)

Guidance literature:

In tetrahydrofuran; for 2h; Ambient temperature;

DOI:10.1246/cl.1992.331

Reference yield:

d,l-2-ethylhexanal (123-05-7) + ethylmagnesium bromide (925-90-6) → 4-ethyloctan-3-ol (19781-26-1)

Guidance literature:

With hydrogenchloride; di-phenyl-methyl-phosphine; zirconocene dichloride; Yield given. Multistep reaction;

DOI:10.1016/0022-328X(94)80112-6

upstream raw materials:

d,l-2-ethylhexanal

ethylmagnesium bromide

4-ethyl-1-octyn-3-ol

Refernces

• 1、 Suzuki, Noriyuki,Rousset, Christophe J.,Aoyagi, Koichiro,Kotora, Martin,Takahashi, Tamotsu,et al.. "Highly regioselective reaction of zirconocene-alkene complexes with aldehydes or ketones". . p. 117 - 128. Retrieved 2007/10/02.