2-Ethyl-4-methylpentan-1-ol

Base Information

• Chemical Name: 2-Ethyl-4-methylpentan-1-ol
• CAS No.: 106-67-2
• Deprecated CAS: 10137-88-9,111767-90-9
• Molecular Formula: C8H18 O
• Molecular Weight: 130.23
• Hs Code.: 2905199090
• European Community (EC) Number: 203-422-5
• UNII: 80V2E9GXUZ
• DSSTox Substance ID: DTXSID90861723
• Nikkaji Number: J34.528H
• Wikidata: Q27161372
• Mol file: 106-67-2.mol

Synonyms:2-Ethyl-4-methylpentan-1-ol;106-67-2;2-Ethyl-4-methylpentanol;2-Ethyl-4-methyl-1-pentanol;1-Pentanol, 2-ethyl-4-methyl-;2-Ethylisohexanol;1-pentanol,2-ethyl-4-methyl-;BRN 1697441;111767-90-9;EINECS 203-422-5;80V2E9GXUZ;4-01-00-01792 (Beilstein Handbook Reference);UNII-80V2E9GXUZ;SCHEMBL135878;QSPL 107;CHEBI:89186;QCHSJPKDWOFACC-UHFFFAOYSA-;DTXSID90861723;MFCD01709207;AKOS014320379;AS-76101;LS-101892;CS-0152610;EN300-7276493;A854173;Q27161372

Chemical Property of 2-Ethyl-4-methylpentan-1-ol

Chemical Property:

• Vapor Pressure: 0.449mmHg at 25°C
• Melting Point: -61.15°C (estimate)
• Refractive Index: 1.4270
• Boiling Point: 171.3°C at 760 mmHg
• PKA: 15.05±0.10(Predicted)
• Flash Point: 64.2°C
• PSA: 20.23000
• Density: 0.819g/cm³
• LogP: 2.05100
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 130.135765193
• Heavy Atom Count: 9
• Complexity: 59.6

Purity/Quality:

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

2-Ethyl-4-methyl-1-pentanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC(C)C)CO
• Uses: 2-Ethyl-4-methyl-1-pentanol is a volatile chemical that can be used to diagnose ratoon stunting disease in Sugar cane.

Technology Process of 2-Ethyl-4-methylpentan-1-ol

There total 6 articles about 2-Ethyl-4-methylpentan-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:

4-Methyl-1-pentene (691-37-2,25068-26-2) + triethylaluminum (97-93-8) → 2-ethyl-4-methyl-1-pentanol (106-67-2,111767-90-9) + (2S)-2-isobutyl-1,4-butanediol + (2R)-2-isobutyl-1,4-butanediol (688327-36-8)

Guidance literature:

4-Methyl-1-pentene; triethylaluminum; With (p-S)(p-S)-bis[η⁵-[1-[(1S,2S,5R)-2-isopropyl-5-methylcyclohexyl]indenyl]]zirconium dichloride; In cyclohexane; at 22 ℃; for 24h; Inert atmosphere; Schlenk technique;

With oxygen; In cyclohexane; at 0 ℃; for 26h;

With hydrogenchloride; water; In cyclohexane; at 0 ℃; enantioselective reaction;

DOI:10.1016/j.jorganchem.2012.10.021

Reference yield:

→ 2-ethyl-4-methyl-1-pentanol (106-67-2,111767-90-9)

Guidance literature:

With kieselguhr; nickel; at 120 ℃; under 147102 Torr; Hydrogenation;

DOI:10.1177/088307380201700318

Reference yield:

methanol (67-56-1) + 2-Methylhexane (591-76-4) → 2-Isopropyl-1-pentanol (18593-91-4) + 2-ethyl-4-methyl-1-pentanol (106-67-2,111767-90-9) + 2,2-dimethyl-1-hexanol (2370-13-0) + 2,5-dimethylhexane-1-ol (6886-16-4)

Guidance literature:

With mercury; for 17h; Yield given. Further byproducts given. Yields of byproduct given; Heating; Irradiation;

DOI:10.1021/ja00190a032

upstream raw materials:

methanol

2-Methylhexane

4-Methylpentanoic acid

2-ethyl-4-methylpentanoic acid

Downstream raw materials:

(2-Ethyl-4-methyl-pentyloxysulfonyl)-phenyl-acetic acid

Refernces

• 1、 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.
• 2、 Brown, Stephen H.,Crabtree, Robert H.. "Alkane Functionalization on a Preparative Scale by Mercury-Photosensitized Cross-Dehydrodimerization". . p. 2946 - 2953. Retrieved 2007/10/02.