2-Dodecenal

Base Information

• Chemical Name: 2-Dodecenal
• CAS No.: 20407-84-5
• Molecular Formula: C12H22O
• Molecular Weight: 182.306
• Hs Code.: 2912190090
• European Community (EC) Number: 243-797-2,225-402-5
• UNII: 1D55O81P4E
• DSSTox Substance ID: DTXSID2051847
• Nikkaji Number: J280.586C,J101.930I
• Wikidata: Q27252265
• Metabolomics Workbench ID: 3470
• ChEMBL ID: CHEMBL2228452
• Mol file: 20407-84-5.mol

Synonyms:eryngial;trans-2-dodecenal

Chemical Property of 2-Dodecenal

Chemical Property:

• Vapor Pressure: 0.0102mmHg at 25°C
• Melting Point: 2°C (estimate)
• Refractive Index: n20/D 1.457(lit.)
• Boiling Point: 263.6 °C at 760 mmHg
• Flash Point: 121 °C
• PSA: 17.07000
• Density: 0.837 g/cm³
• LogP: 3.88220
• Water Solubility.: 3.21mg/L at 20℃
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 182.167065321
• Heavy Atom Count: 13
• Complexity: 127

Purity/Quality:

99.9% ^*data from raw suppliers

Trans-2-Dodecenal ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CCCCCCCCCC=CC=O
• Isomeric SMILES: CCCCCCCCC/C=C/C=O
• Uses: Trans-2-Dodecenal is a component of essential oils from Cymbocarpum anethoides and a volatile compound of virgin rapeseed oil.

Technology Process of 2-Dodecenal

There total 45 articles about 2-Dodecenal 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: 96.0%

(2E)-dodec-2-en-1-ol (22104-81-0,69064-36-4,69064-37-5) → 2-dodecenal (20407-84-5)

Guidance literature:

With fluorosulfonyl fluoride; potassium carbonate; dimethyl sulfoxide; at 20 ℃; for 12h; chemoselective reaction;

DOI:10.1002/adsc.201900104

Reference yield: 90.0%

caprinaldehyde (112-31-2) + triphenylarsonium salt of bromoacetaldehyde (103698-50-6) → 2-dodecenal (20407-84-5)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; diethyl ether; at 25 ℃; trace of H₂O;

DOI:10.1016/S0040-4039(00)96069-6

Reference yield: 86.0%

C14H27NO2 → 2-dodecenal (20407-84-5)

Guidance literature:

C₁₄H₂₇NO₂; With methyl trans/cis-2-dodecanoate; trimethylsilyl trifluoromethanesulfonate; triethylphosphine; In toluene; at 110 ℃; for 5h; Inert atmosphere;

With diisobutylaluminium hydride; In hexane; toluene; at -78 ℃; Inert atmosphere;

With tetrabutyl ammonium fluoride; In tetrahydrofuran; hexane; toluene; for 0.5h; Reagent/catalyst; Inert atmosphere;

DOI:10.1248/CPB.C20-00545

upstream raw materials:

(E/Z)-1-bromododec-2-ene

hexamethylenetetramine

1,1,3-triethoxy-dodecane

Acetic acid 1-allyl-decyl ester

Downstream raw materials:

1-decanoic acid

tetradeca-2,4-dienal

α-dodecenoic acid