2-Ethyl-3-hydroxyhexanal

Base Information

• Chemical Name: 2-Ethyl-3-hydroxyhexanal
• CAS No.: 496-03-7
• Molecular Formula: C8H16 O2
• Molecular Weight: 144.214
• European Community (EC) Number: 207-812-6
• DSSTox Substance ID: DTXSID60964290
• Nikkaji Number: J24.229B
• Mol file: 496-03-7.mol

Synonyms:2-ETHYL-3-HYDROXYHEXANAL;496-03-7;Butyraldol;3-Hydroxy-2-ethylhexanal;Hexanal,2-ethyl-3-hydroxy-;HSDB 5667;UNII-JVT6LVK65O;2-ethyl-3-hydroxy-hexanal;Hexanal, 2-ethyl-3-hydroxy-;EINECS 207-812-6;AI3-01508;Butylaldol;JVT6LVK65O;Hexanal, 2-etil-3-hidroxi-;SCHEMBL730338;DTXSID60964290;AKOS006276713

Chemical Property of 2-Ethyl-3-hydroxyhexanal

Chemical Property:

• Vapor Pressure: 0.0294mmHg at 25°C
• Boiling Point: 216.9°Cat760mmHg
• PKA: 14.56±0.20(Predicted)
• Flash Point: 86.7°C
• PSA: 37.30000
• Density: 0.923g/cm³
• LogP: 1.37250
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 144.115029749
• Heavy Atom Count: 10
• Complexity: 91.3

Purity/Quality:

99% ^*data from raw suppliers

2-ETHYL-3-HYDROXYHEXANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: CCCC(C(CC)C=O)O
• Uses: 2-Ethyl-3-hydroxyhexanal is used for the preparation of 2-ethyl-2-hexenal, 2-ethylhexanol, 2-ethylhexanal, 2-ethylhexanoic acid, and 2-ethyl-1,3-hexanediol. 2-Ethyl-3-hydroxyhexanal is a reagent useful for the Aldol condensation reactions.

Technology Process of 2-Ethyl-3-hydroxyhexanal

There total 33 articles about 2-Ethyl-3-hydroxyhexanal 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%

2-ethyl-1,3-hexane diol (94-96-2,1321-34-2) → 2-ethyl-3-hydroxyhexanal (496-03-7)

Guidance literature:

With 4-hydroxy-TEMPO benzoate; sodium bromide; In dichloromethane; water; NaHCO₃-buffered at pH 8.6; electrolysis;

DOI:10.1021/jo00007a031

Reference yield: 11.0%

butyraldehyde (123-72-8) + phenylacetylene (536-74-3) → 2-ethyl-3-hydroxyhexanal (496-03-7) + 1-phenyl-1-hexyn-3-ol (1817-51-2)

Guidance literature:

With indium(III) bromide; triethylamine; In diethyl ether; at 20 ℃; for 24h;

DOI:10.1016/S0040-4039(03)00931-6

Reference yield:

butyraldehyde (123-72-8) → 2-ethyl-3-hydroxyhexanal (496-03-7)

Guidance literature:

With potassium hydroxide; diethyl ether; Destillieren der Reaktionsprodukte unter vermindertem Druck;

upstream raw materials:

butyraldehyde

diethylamine

2-ethyl-1,3-hexane diol

(E)-2-Hexenal

Downstream raw materials:

4-heptanone

2-ethylhexenal

butyraldehyde

5-ethyl-decane-4,6-diol

Refernces

• 1、 Zhang, Fanglin,Su, Ning,Gong, Yuefa. "Highly selective catalytic cross-aldol reactions of chloral with aliphatic aldehydes". . p. 1703 - 1706. Retrieved 2006.
• 2、 Fischer,Marschall. "-". . p. 2826. Retrieved 1931.
• 3、 -. "9-azanoradamantane N—oxyl compound and method for producing same, and organic oxidation catalyst and method for oxidizing alcohols using 9-azanoradamantane N—oxyl compound". Page/Page column 27. . Retrieved 2015/09/23.