2-Undecenal

Base Information

• Chemical Name: 2-Undecenal
• CAS No.: 2463-77-6
• Molecular Formula: C₁₁H₂₀O
• Molecular Weight: 168.279
• European Community (EC) Number: 215-656-5,219-564-6,258-559-3
• UNII: FNP3S9MG30
• DSSTox Substance ID: DTXSID20904470
• Nikkaji Number: J209.069D,J100.307K
• Metabolomics Workbench ID: 3463
• ChEMBL ID: CHEMBL451328
• Mol file: 2463-77-6.mol

Synonyms:(2E)-undecenal;undecenal

Chemical Property of 2-Undecenal

Chemical Property:

• Appearance/Colour: Colourless to very pale straw coloured liquid
• Melting Point: -12°C (estimate)
• Refractive Index: n20/D 1.457(lit.)
• Boiling Point: 244.805 °C at 760 mmHg
• Flash Point: 108.641 °C
• PSA: 17.07000
• Density: 0.837 g/cm³
• LogP: 3.49210
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 168.151415257
• Heavy Atom Count: 12
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

2-UNDECENAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/38:Irritating to eyes and skin.
• Hazard Codes: R36/38:Irritating to eyes and skin.
• Statements: 36/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC=CC=O
• Isomeric SMILES: CCCCCCCC/C=C/C=O

Technology Process of 2-Undecenal

There total 18 articles about 2-Undecenal 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: 86.0%

(E)-2-(non-1-en-1-yl)oxirane → 2-undecenal (53448-07-0,71277-05-9,2463-77-6) + (E)-Undec-3-enal (344400-78-8) + 2-heptyl-2,5-dihydrofuran

Guidance literature:

With copper(II) hexafluoro-2,4-pentanedionate; In toluene; at 150 ℃; for 2h;

DOI:10.1021/ja067073o

Reference yield: 69.0%

3-Methyl-1-[methyl-((E)-undec-2-enoyl)-amino]-3H-imidazol-1-ium; iodide → 2-undecenal (53448-07-0,71277-05-9,2463-77-6)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; at -10 - 20 ℃; for 0.5h;

DOI:10.1016/0040-4020(96)00882-4

Reference yield: 42.0%

3-chloro-1-undecenylthio benzene (198982-64-8) → 2-undecenal (53448-07-0,71277-05-9,2463-77-6)

Guidance literature:

With water; copper(II) oxide; copper dichloride; In acetone; for 1h; Heating;

DOI:10.1080/00397919708005915

upstream raw materials:

trans-2-undecen-1-ol

undec-1-enal dimethyl acetal

3-chloro-1-undecenylthio benzene

1,1-dimethoxy-undec-2-ene

Downstream raw materials:

(2RS)-2-octyl-7-phenyl-2H,5H-pyrano[4,3-b]pyran-5-one

(E)-undec-2-enenitrile

(R,E)-1-chloro-4-[3-(2,2-dimethoxyethyl)undec-1-enyl]benzene

(R,E)-1-[3-(2,2-dimethoxyethyl)undec-1-enyl]-4-methoxybenzene

Refernces

• 1、 Damanik, Marini,Murkovic, Michael. "Formation of potentially toxic carbonyls during oxidation of triolein in the presence of alimentary antioxidants". . p. 2031 - 2035. Retrieved 2017/10/26.
• 2、 Tong, Jinhui,Li, Wenyan,Bo, Lili,Wang, Huan,Hu, Yusen,Zhang, Zhixia,Mahboob, Abdulla. "Selective oxidation of styrene catalyzed by cerium-doped cobalt ferrite nanocrystals with greatly enhanced catalytic performance". . p. 474 - 481. Retrieved 2016/11/18.