2-Ethyl-2-hexenal

Base Information

• Chemical Name: 2-Ethyl-2-hexenal
• CAS No.: 64344-45-2
• Deprecated CAS: 128744-21-8,1197009-33-8
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• European Community (EC) Number: 211-448-3
• NSC Number: 4787
• UN Number: 1988
• UNII: 69YL9T443B
• Nikkaji Number: J24.156C,J976.592A
• Wikidata: Q27887011
• Mol file: 64344-45-2.mol

Synonyms:2-ethylhex-2-en-1-al

Chemical Property of 2-Ethyl-2-hexenal

Chemical Property:

• Flash Point: 68 °C
• PSA: 17.07000
• LogP: 2.32180
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 103
• Transport DOT Label: Flammable Liquid Poison

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 38-41
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CCCC=C(CC)C=O
• Isomeric SMILES: CCC/C=C(\CC)/C=O

Technology Process of 2-Ethyl-2-hexenal

There total 22 articles about 2-Ethyl-2-hexenal 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: 61.0%

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + carbon monoxide (201230-82-2) → (E)-2-ethyl-2-hexenal (64344-45-2) + d,l-2-ethylhexanal (123-05-7)

Guidance literature:

With hydrogen; HRh(CO)(PPh₃)3 on surface of hydrotalcite; In toluene; at 60 - 200 ℃; for 12h; under 7600.51 - 22801.5 Torr; Further Variations:; Temperatures; Mg/Al ratio in hydrotalcite, catalyst amount, CO/H2 ratio; Product distribution; Kinetics;

DOI:10.1039/b616977e

Reference yield: 57.0%

methyl 2-phenylsulfinylacetate (14090-83-6) + butyraldehyde (123-72-8) → (E)-2-ethyl-2-hexenal (64344-45-2) + (E)-methyl 2-phenylsulphinylhex-2-enoate (111220-69-0)

Guidance literature:

With piperidine; In acetonitrile; at 0 ℃; for 24h;

Reference yield:

butyraldehyde (123-72-8) → (E)-2-ethyl-2-hexenal (64344-45-2) + 2-ethyl-3-hydroxyhexanal (496-03-7)

Guidance literature:

cobalt naphthenate; In n-heptane; at 60 ℃; for 1h; Product distribution; Mechanism; other time, other temperatures, other catalysts;

upstream raw materials:

butyraldehyde

1-morpholino-1-butene

butylaldehyde piperidine enamine

ethanol

Downstream raw materials:

formic acid

4-hydroxy-3-heptanone

heptane-3,4-diol

heptan-3-one

Refernces

• 1、 Sharma, Sumeet K.,Srivastava, Vivek K.,Shukla, Ram S.,Parikh, Parimal A.,Jasra, Raksh V.. "One-pot synthesis of C8 aldehydes/alcohols from propylene using eco-friendly hydrotalcite supported HRhCO(PPh3)3 catalyst". . p. 277 - 286. Retrieved 2008/02/02.
• 2、 Okano, Tamon,Satou, Yoshikazu,Tamura, Motoshi,Kiji, Jitsuo. "Aldol Reaction and Robinson-Type Annelation Catalyzed by Lanthanoid Triisopropoxides". . p. 1879 - 1886. Retrieved 2007/10/03.