2-Hexyl-2-decenal

Base Information

• Chemical Name: 2-Hexyl-2-decenal
• CAS No.: 64935-39-3
• Molecular Formula: C16H30O
• Molecular Weight: 238.414
• UNII: V7NK8BCX89
• Nikkaji Number: J1.072.749I

Synonyms:2-HEXYL-2-DECENAL;2-Decenal, 2-hexyl-, (2E)-;UNII-CIC69FY5FI;CIC69FY5FI;64935-39-3;Fema No. 4786;V7NK8BCX89;Fema No. 4786, E-;2-Hexyl-2-decenal, (2E)-;2-Decenal, 2-hexyl-, (E)-;UNII-V7NK8BCX89;(E)-2-Hexyldec-2-enal;SCHEMBL1300694;RSBRHLFCWKXUSQ-JQIJEIRASA-N

Chemical Property of 2-Hexyl-2-decenal

Chemical Property:

• Boiling Point: 126-127 °C(Press: 3.5 Torr)
• PSA: 17.07000
• Density: 0.841±0.06 g/cm3(Predicted)
• LogP: 5.44260
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 238.229665576
• Heavy Atom Count: 17
• Complexity: 194

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC=C(CCCCCC)C=O
• Isomeric SMILES: CCCCCCC/C=C(\CCCCCC)/C=O

Technology Process of 2-Hexyl-2-decenal

There total 4 articles about 2-Hexyl-2-decenal 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: 36.0%

nonan-1-al (124-19-6) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → (E)-2-hexyldec-2-enal (64935-39-3) + 2-(2-phenylallyl)nonanal

Guidance literature:

With morpholine; (4-cyanopyridine)bis(dimethylglyoximato)cobalt(III) chloride; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; In dimethyl sulfoxide; at 20 ℃; for 36h; Inert atmosphere; Irradiation; Schlenk technique; Sealed tube;

DOI:10.1021/acs.orglett.0c02742

Reference yield:

tetrachloromethane (56-23-5) + dimethyl 2,2'-azobis(isobutyrate) (2589-57-3) + Octanal (124-13-0) → (E)-2-hexyldec-2-enal (64935-39-3) + n-heptane (142-82-5)

Guidance literature:

at 90 ℃;

DOI:10.1039/jr9520003108

Reference yield:

dimethyl 2,2'-azobis(isobutyrate) (2589-57-3) + Octanal (124-13-0) → (E)-2-hexyldec-2-enal (64935-39-3) + n-heptane (142-82-5)

Guidance literature:

DOI:10.1039/jr9520003108

upstream raw materials:

dimethyl 2,2'-azobis(isobutyrate)

Octanal

tetrachloromethane

bromobenzene

Downstream raw materials:

2-hexyl-dec-2t-enal-(2,4-dinitro-phenylhydrazone)

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