trans-2,cis-6-Nonadienal

Base Information

• Chemical Name: trans-2,cis-6-Nonadienal
• CAS No.: 557-48-2
• Molecular Formula: C9H14 O
• Molecular Weight: 138.21
• Hs Code.: 2912190090
• European Community (EC) Number: 247-632-5,209-178-6
• UNII: 93E895X03C
• DSSTox Substance ID: DTXSID1047104
• Nikkaji Number: J59.348F
• Wikipedia: Trans,cis-2,6-Nonadienal
• Wikidata: Q158544
• Metabolomics Workbench ID: 3515
• Mol file: 557-48-2.mol

Synonyms:2,6-nonadienal;2,6-nonadienal, (E,E)-isomer;2,6-nonadienal, (E,Z)-isomer;2-trans-6-cis-nonadienal

Chemical Property of trans-2,cis-6-Nonadienal

Chemical Property:

• Appearance/Colour: clear colorless to pale yellow liquid
• Vapor Pressure: 0.28mmHg at 25°C
• Refractive Index: n20/D 1.474(lit.)
• Boiling Point: 94-95°C18mm Hg(lit.)
• Flash Point: 181°F
• PSA: 17.07000
• Density: 0.86g/mLat 25°C(lit.)
• LogP: 2.48790
• Storage Temp.: Refrigerator
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Sparingly), DMSO (Slightly), Methanol (Sparingly)
• XLogP3: 2.2
• 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:

trans-2,cis-6-Nonadienal ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC=CCCC=CC=O
• Isomeric SMILES: CC/C=C\CC/C=C/C=O
• Description: 2-trans-6-cis-Nonadienal has an odor reminiscent of green cucumber. The organoleptic character is attributed almost entirely to olfactory sensations. It may be obtained from natural hexenol; from steam distillation of fresh cucumber.
• Uses: trans-2,cis-6-Nonadienal is an unsaturated aldehyde that is responsible for the cucumber smell of Synura petersenii, a freshwater colonial flagellate. trans-2,cis-6-Nonadienal is also a common natural and drinking water contaminant.

Technology Process of trans-2,cis-6-Nonadienal

There total 43 articles about trans-2,cis-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: 93.2%

nona-2(Z),6(Z)-dienal diethyl acetal (67674-37-7) → 2E,6Z-nonadienal (557-48-2,26370-28-5)

Guidance literature:

nona-2(Z),6(Z)-dienal diethyl acetal; In water; at 3 - 8 ℃; for 0.166667h;

With hydrogenchloride; In water; at 3 - 25 ℃; for 2h;

Reference yield: 80.0%

(3Z,6Z)-1,1-dimethoxynona-3,6-diene → 2E,6Z-nonadienal (557-48-2,26370-28-5)

Guidance literature:

With hydrogenchloride; In water; acetone; for 3h;

DOI:10.1016/j.chemphyslip.2014.04.005

Reference yield: 67.0%

(2E,6Z)-2,6-nonadien-1-ol (5820-89-3,7786-44-9,28069-72-9) → 2E,6Z-nonadienal (557-48-2,26370-28-5)

Guidance literature:

With manganese(IV) oxide; In pentane;

DOI:10.1246/cl.1981.703

upstream raw materials:

nona-2(Z),6(Z)-dienal diethyl acetal

nona-2c,6c-dien-1-ol

(2E,6Z)-2,6-nonadien-1-ol

2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine

Downstream raw materials:

(2E,6Z)-2,6-nonadien-1-ol

Refernces

• 1、 -. "PROCESS FOR PREPARING A 5-ALKEN-1-YNE COMPOUND, (6Z)-1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND, (2E,6Z)-2,6-NONADIENAL AND (2E)-CIS-6,7-EPOXY-2-NONENAL, AND 1,1-DIALKOXY-6-NONEN-2-YNE COMPOUND". Paragraph 0175-0179. . Retrieved 2020/02/27.
• 2、 -. "PROCESS FOR PREPARING (E2,Z6)-2,6-NONADIENAL". Paragraph 0061-0066. . Retrieved 2020/03/09.