Hexadecanal

Base Information

• Chemical Name: Hexadecanal
• CAS No.: 629-80-1
• Molecular Formula: C16H32O
• Molecular Weight: 240.429
• European Community (EC) Number: 211-111-0
• UNII: WQD27655QE
• DSSTox Substance ID: DTXSID5042039
• Nikkaji Number: J1.704C
• Wikipedia: Hexadecanal
• Wikidata: Q27077978
• Metabolomics Workbench ID: 3486
• ChEMBL ID: CHEMBL1235338
• Mol file: 629-80-1.mol

Synonyms:hexadecanal;palmitaldehyde;palmitoyl aldehyde

Chemical Property of Hexadecanal

Chemical Property:

• Vapor Pressure: 0.00132mmHg at 25°C
• Melting Point: 36-38ºC
• Refractive Index: 1.439
• Boiling Point: 297.8 °C at 760 mmHg
• Flash Point: 138.9 °C
• PSA: 17.07000
• Density: 0.829 g/cm³
• LogP: 5.66660
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 240.245315640
• Heavy Atom Count: 17
• Complexity: 143

Purity/Quality:

98%, ^*data from raw suppliers

Hexadecanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CCCCCCCCCCCCCCCC=O
• Uses: It is used in the production of lipid and fatty acids. Hexadecanal is used in the production of lipid and fatty acids.

Technology Process of Hexadecanal

There total 72 articles about Hexadecanal 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: 100.0%

1-Hexadecanol (36653-82-4,124-29-8) → n-hexadecylaldehyde (629-80-1)

Guidance literature:

With 4-acetylamino-2,2,6,6-tetramethylpiperidine-N-oxyl; toluene-4-sulfonic acid; In dichloromethane; 1) 0 deg C, 1 h, 2) r.t., 2.5 h;

DOI:10.1021/jo00021a027

Reference yield: 97.0%

n-hexadecanoyl chloride (112-67-4) → n-hexadecylaldehyde (629-80-1)

Guidance literature:

With tri-n-butyl-tin hydride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In benzene; for 0.166667h; Ambient temperature;

DOI:10.1021/jo00335a023

Reference yield: 96.0%

hexadecanyl bromide (112-82-3) → n-hexadecylaldehyde (629-80-1)

Guidance literature:

With sodium hydrogencarbonate; dimethyl sulfoxide; sodium iodide; at 115 ℃; for 2.25h;

upstream raw materials:

selenous acid dihexadecyl ester

(2S,3R)-2-amino-1,3-octadecanediol

lead(IV) tetraacetate

1-Hexadecanol

Downstream raw materials:

cetyladehyde dimethyl acetal

1-Hexadecanol

1-hexadecylcarboxylic acid

3-hydroxyoctadecanoic acid

Refernces

• 1、 Feulgen,Behrens. "-". . p. 229. Retrieved 1928.
• 2、 Trautmann, Danika,Beyer, Peter,Al-Babili, Salim. "The ORF slr0091 of Synechocystis sp. PCC6803 encodes a high-light induced aldehyde dehydrogenase converting apocarotenals and alkanals". . p. 3685 - 3696. Retrieved 2013.
• 3、 Da Silva Pinto, Solange,Davies, Stephen G.,Fletcher, Ai M.,Newton, Sophie K.,Roberts, Paul M.,Thomson, James E.. "Short asymmetric syntheses of sphinganine [(2S,3R)-2-aminooctadecane-1,3-diol] and its C(2)-epimer". supporting information. . Retrieved 2021/02/09.
• 4、 Elias, Marianne,Mann, Florian,McClure, Melanie,Schulz, Stefan,Silva, Lisa de,Szczerbowski, Daiane. "3-Acetoxy-fatty acid isoprenyl esters from androconia of the ithomiine butterfly Ithomia salapia". supporting information. p. 2776 - 2786. Retrieved 2020/12/29.