5455-21-0 Usage
Chemical class
Medium-chain fatty acids
Structure
Long-chain carboxylic acid with a hexylsulfanyl group attached to the 11th carbon atom
Natural sources
Coconuts and palm kernel oils, among other sources
Industrial applications
Surfactant, emulsifier, and lubricating agent
Suitability
Cosmetic and personal care products, pharmaceuticals, and food additives
Therapeutic applications
Antimicrobial and anti-inflammatory properties
Physical state
Likely a solid at room temperature, due to its long-chain structure
Solubility
Soluble in organic solvents, such as ethanol or acetone, but may have limited solubility in water
Molecular weight
Approximately 306.52 g/mol (calculated from the molecular formula)
Functional groups
Carboxylic acid (-COOH) and sulfanyl (-SH) groups
Reactivity
May react with other compounds containing functional groups such as alcohols, amines, or other acids through esterification, amidation, or thioester formation
Stability
Generally stable under normal conditions, but sensitive to oxidation and hydrolysis
Safety
Potential for skin and eye irritation, as well as respiratory issues if inhaled in high concentrations; proper handling and storage are necessary to minimize risks
Environmental impact
Biodegradable, but its environmental impact should be considered in terms of its production, use, and disposal processes.
Check Digit Verification of cas no
The CAS Registry Mumber 5455-21-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,5 and 5 respectively; the second part has 2 digits, 2 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 5455-21:
(6*5)+(5*4)+(4*5)+(3*5)+(2*2)+(1*1)=90
90 % 10 = 0
So 5455-21-0 is a valid CAS Registry Number.
5455-21-0Relevant articles and documents
1H and 13C N.M.R. Studies on the Positional Isomers of Methyl Thialaurate and Methyl Thiastearate
Jie, Marcel S. F. Lie Ken,Bakare, Oladapo
, p. 2121 - 2126 (2007/10/02)
1H N.m.r. analysis of methyl thialaurate and methyl thiastearate shows that the sulphur atom in the alkyl chain has a significant deshilding effect (α-effect) on the chemical shift of the protons of the adjacent methylene and methyl groups, and also on the methyl protons of the methoxycarbonyl (ester) function.It was possible to identify seven of the positional isomers in each series by examining the chemical shifts and the splitting pattern of the signals in the 1H n.m.r. spectra of these fatty acid ester analogues.The 13C n.m.r. results showed that this S atom has an interesting effect (α-, β-, and γ-effect) on the chemical shift of the carbonyl carbon atom of the methoxycarbonyl (ester) function: the sulphur atom exerts a significant shilding effect in the case of the 2-, 3-, and 4-thia isomers.In the remaining isomers the sulphur atom causes a strong deshilding effect on the methylene or methyl carbon atoms on either side of the sulphide linkage.These results permitted all positional isomers of methyl thialaurate to be identified by this technique, while 10 out of the 16 positional isomers of methyl thiastearate could be characterized.
