(3Z,6Z)-3,6-Nonadienal

Base Information

• Chemical Name: (3Z,6Z)-3,6-Nonadienal
• CAS No.: 21944-83-2
• Molecular Formula: C9H14O
• Molecular Weight: 138.21
• Hs Code.: 2912190090
• European Community (EC) Number: 837-819-5
• DSSTox Substance ID: DTXSID10904489
• Nikkaji Number: J53.070K
• Wikidata: Q27149492
• Metabolomics Workbench ID: 44706
• Mol file: 21944-83-2.mol

Synonyms:(3Z,6Z)-nona-3,6-dienal;(3Z,6Z)-3,6-Nonadienal;(Z,Z)-3,6-Nonadienal;21944-83-2;3,6-nonadienal;cis,cis-3,6-Nonadienal;(Z,Z)-3.6-Nonadienal;(3Z,6Z)-nonadienal;3,6-Nonadienal, (Z,Z)-;SCHEMBL2597474;CHEBI:80444;DTXSID10904489;EN300-633504;Q27149492

Chemical Property of (3Z,6Z)-3,6-Nonadienal

Chemical Property:

• Vapor Pressure: 0.302mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 201.8 °C at 760 mmHg
• Flash Point: 70.5 °C
• PSA: 17.07000
• Density: 0.855 g/cm³
• LogP: 2.48790
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 138.104465066
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

cis,cis-3,6-Nonadienal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCC=CCC=O
• Isomeric SMILES: CC/C=C\C/C=C\CC=O
• Uses: cis,cis-3,6-Nonadienal is a volatile compound from cucumber. Studies suggest linolenic and linoleic acid?are the precursors for the biosynthesis of this compound.?cis,cis-3,6-Nonadienal may be a useful compound to investigate biosynthesis pathways in cucumber.

Technology Process of (3Z,6Z)-3,6-Nonadienal

There total 2 articles about (3Z,6Z)-3,6-Nonadienal 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:

(Z,Z)-1-hydroxynona-3,6-diene (53046-97-2,167820-65-7,53250-56-9) → 2E,6Z-nonadienal (557-48-2,26370-28-5) + (3Z,6Z)-nona-3,6-dienal (21944-83-2)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1021/jf104711x

Reference yield:

(3Z,6Z)-1,1-dimethoxynona-3,6-diene → 2E,6Z-nonadienal (557-48-2,26370-28-5) + (3Z,6Z)-nona-3,6-dienal (21944-83-2)

Guidance literature:

With water; hydrogen cation; In acetone; Yield given;

DOI:10.1055/s-1995-3906

Reference yield: 91.0%

(3Z,6Z)-nona-3,6-dienal (21944-83-2) → (Z,Z)-1-hydroxynona-3,6-diene (53046-97-2,167820-65-7,53250-56-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -70 - -20 ℃;

DOI:10.1055/s-1995-3906

upstream raw materials:

(Z,Z)-1-hydroxynona-3,6-diene

Downstream raw materials:

(Z,Z)-1-hydroxynona-3,6-diene

C₃₀H₄₁F₃O₄Si

C₃₀H₄₁F₃O₄Si

maresin 1

Refernces

• 1、 Sandri,Viala. "Direct preparation of (Z,Z)-1,4-dienic units with a new C6 homologating agent: Synthesis of α-linolenic acid". . p. 271 - 275. Retrieved 2007/10/02.