5-Octenal

Base Information

• Chemical Name: 5-Octenal
• CAS No.: 41547-29-9
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.199
• European Community (EC) Number: 639-101-5
• UNII: 57X58IF79Z
• Nikkaji Number: J523.002K
• Wikidata: Q27261530
• Metabolomics Workbench ID: 3430
• Mol file: 41547-29-9.mol

Synonyms:5-octenal;trans-5-Octenal;5-Octenal, (E)-;5-Octenal, (5E)-;oct-5-enal;(z)-5-octenal;57X58IF79Z;UNII-57X58IF79Z;41547-29-9;(5z)-5-octenal;LMFA06000032;(5E)-5-octenal;oct-5-en-1-al;SCHEMBL515426;FEMA NO. 4898;FEMA 3749;CHEBI:142079;EN300-1851515;Q27261530

Chemical Property of 5-Octenal

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 84.6

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC=CCCCC=O
• Isomeric SMILES: CC/C=C/CCCC=O

Technology Process of 5-Octenal

There total 3 articles about 5-Octenal 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:

5-octen-1-yl dioxolane → (Z)-oct-5-enal (41547-22-2) + trans-oct-5-enal (41547-29-9)

Guidance literature:

With pyridinium p-toluenesulfonate; In acetone; Reflux;

Reference yield:

(3S,4S)-4-Ethyl-hexa-1,5-dien-3-ol (5903-50-4,79803-44-4,79803-45-5) → (Z)-oct-5-enal (41547-22-2) + trans-oct-5-enal (41547-29-9)

Guidance literature:

In decane; at 174 ℃; for 72h; Yield given. Yields of byproduct given; Heating;

DOI:10.1016/S0040-4020(01)90580-0

Reference yield:

4-ethyl-hexa-1,5-dien-3-ol (5903-50-4) → (Z)-oct-5-enal (41547-22-2) + trans-oct-5-enal (41547-29-9)

Guidance literature:

In decane; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

DOI:10.1021/jo00339a051

upstream raw materials:

4-ethyl-hexa-1,5-dien-3-ol

(3S,4S)-4-Ethyl-hexa-1,5-dien-3-ol

Downstream raw materials:

trans non-6-en-2-one

3,5-bis(trifluoromethyl)-N-(2-propylpiperidin-1-yl)benzamide

3,5-bis(trifluoromethyl)-N'-((E)-oct-5-enyl)benzohydrazide