12-Methyltridecanal

Base Information

• Chemical Name: 12-Methyltridecanal
• CAS No.: 75853-49-5
• Molecular Formula: C14H28O
• Molecular Weight: 212.376
• Hs Code.: 2912190090
• European Community (EC) Number: 299-099-3,616-272-4
• UNII: T2RF910W7E
• DSSTox Substance ID: DTXSID20868381
• Nikkaji Number: J667.424K
• Wikidata: Q27289588
• Metabolomics Workbench ID: 45521
• Mol file: 75853-49-5.mol

Synonyms:12-methyltridecanal;12-MT aldehyde

Chemical Property of 12-Methyltridecanal

Chemical Property:

• Appearance/Colour: Almost colourless to very slightly yellow
• Vapor Pressure: 0.0052mmHg at 25°C
• Melting Point: 25°C (estimate)
• Refractive Index: 1.434
• Boiling Point: 275.1 ºC at 760 mmHg
• Flash Point: 111.5 ºC
• PSA: 17.07000
• Density: 0.825 g/cm³
• LogP: 4.74230
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 212.214015512
• Heavy Atom Count: 15
• Complexity: 129

Purity/Quality:

98% ^*data from raw suppliers

12-Methyltridecanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCCCCCCCCC=O
• Description: 12-Methyltridecanal, also known as 12-MT aldehyde or isotetradecan-1-al, belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 carbon atoms. Thus, 12-methyltridecanal is considered to be a fatty aldehyde lipid molecule. 12-Methyltridecanal is considered to be a practically insoluble (in water) and relatively neutral molecule. 12-Methyltridecanal has been primarily detected in urine. Within the cell, 12-methyltridecanal is primarily located in the membrane (predicted from logP) and cytoplasm. 12-Methyltridecanal has a broth, cooked, and cooked meat taste.
• Uses: 12-Methyltridecanal (MT) smelling tallowy, beef-like was formed from plasmalogens when beef was boiled. It was found in microorganisms samples isolated from beef.

Technology Process of 12-Methyltridecanal

There total 17 articles about 12-Methyltridecanal 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: 98.0%

12-methyltridecan-1-ol (21987-21-3) → 12-methyltridecan-1-al (75853-49-5)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/S0009-3084(03)00110-5

Reference yield: 93.5%

13-methyltetradec-1-ene (107841-96-3) → 12-methyltridecan-1-al (75853-49-5)

Guidance literature:

With ozone; In dichloromethane; at -55 ℃; Temperature;

Reference yield: 66.04%

1,2-epoxy-13-methyltetradecane (107841-97-4) → 12-methyltridecan-1-al (75853-49-5)

Guidance literature:

With periodic acid; In tetrahydrofuran; diethyl ether; for 4h;

upstream raw materials:

12-methyltridecan-1-ol

1,2-epoxy-13-methyltetradecane

methyl 12-methyltridecanoate

1-undecen-11-ylbromide

Downstream raw materials:

(S)-3-((tert-butyldiphenylsilyl)oxy)-14-methylpentadecanal

(S)-3-((tert-butyldiphenylsilyl)oxy)-N,N,14-trimethylpentadecanethioamide