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Stearyldiethanolamine

Cat No.:V62348 Purity: ≥98%
Stearyldiethanolamine is one of the compounds used in the development of antimicrobial cling wrap or antimicrobial nonwovens.
Stearyldiethanolamine
Stearyldiethanolamine Chemical Structure CAS No.: 10213-78-2
Product category: Others 12
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Stearyldiethanolamine is one of the compounds used in the development of antimicrobial cling wrap or antimicrobial nonwovens.
Stearyldiethanolamine (CAS# 10213-78-2) is a tertiary amine with the molecular formula C22H47NO2 and a molecular weight of 357.61. Also known as N,N-bis(2-hydroxyethyl)stearylamine or PEG-2 Stearamine, it is characterized by a long C18 stearyl chain and two terminal hydroxyethyl groups. Stearyldiethanolamine is used in the development of antimicrobial cling wrap and antimicrobial nonwovens. It can act as an emulsifier, stabilizer, and conditioning agent, enhancing the texture and performance of formulations. The compound is a non-ionic antistatic agent with good compatibility, heat resistance, and stability.
Biological Activity I Assay Protocols (From Reference)
Targets
Stearyldiethanolamine targets microbial cells as an antimicrobial agent. As a non-ionic surfactant, it is used in the development of antimicrobial materials. The compound's long C18 stearyl chain and hydroxyethyl groups provide amphiphilic properties that allow it to interact with microbial cell membranes. It can act as an emulsifier, stabilizer, and conditioning agent. Its targets include microbial cell membranes where it exerts antimicrobial effects.
ln Vitro
In vitro studies have demonstrated that Stearyldiethanolamine is used in the development of antimicrobial materials. The compound's properties as a non-ionic surfactant have been characterized. It can act as an emulsifier, stabilizer, and conditioning agent. These in vitro studies provide foundational data for understanding the compound's utility in antimicrobial material development and formulation applications.
ln Vivo
In vivo studies of Stearyldiethanolamine are limited as the compound is primarily used in industrial applications rather than as a therapeutic agent. Its antimicrobial properties suggest potential for in vivo evaluation in antimicrobial material applications. The compound is used in the development of antimicrobial cling wrap and antimicrobial nonwovens. However, comprehensive pharmacological studies are not applicable as the compound is not a therapeutic agent.
Enzyme Assay
In vitro antimicrobial assays for Stearyldiethanolamine typically involve testing its antimicrobial activity against various bacterial strains. Antimicrobial activity is assessed using standard disc diffusion or broth microdilution methods to determine minimum inhibitory concentrations (MICs). The compound's purity (97%) and identity are confirmed using analytical chemistry methods such as nuclear magnetic resonance spectroscopy and mass spectrometry. All assays are performed with appropriate controls.
Cell Assay
In vitro cell-based assays for Stearyldiethanolamine involve culturing bacterial cells to evaluate its antimicrobial activity. Bacterial cells are treated with varying concentrations of the compound and cell viability is monitored. The compound's effects on bacterial growth and cell membrane integrity are assessed. All experiments are performed in triplicate with appropriate controls to ensure statistical reliability.
Animal Protocol
In vivo animal experiments for Stearyldiethanolamine would be conducted for toxicology and safety assessment. Animals would be administered the compound and observed for signs of toxicity. Parameters assessed would include body weight, organ weights, and histopathology. The compound's effects on skin and eye irritation would be evaluated for safety in formulation applications. Control groups receiving vehicle alone would be included for comparison.
ADME/Pharmacokinetics
The pharmacokinetic properties of Stearyldiethanolamine reflect its nature as a lipophilic tertiary amine. It has a molecular weight of 357.61 and the molecular formula C22H47NO2. The compound appears as a light yellow waxy solid with a melting point of 51°C and a boiling point of 300°C. It has a purity of 97%. As a lipophilic compound, it would be absorbed through the skin and distributed in lipid-rich tissues.
Toxicity/Toxicokinetics
Toxicity Summary
The expert panel concluded that the following 47 polyethylene glycol (PEG), cocoyl amine, and related ingredients are safe for use in cosmetics under current cosmetic application methods and concentrations, provided they are formulated into non-irritating products… PEG-2 stearylamine… Under specific conditions, they are safe for use in cosmetics.
The toxicity profile of Stearyldiethanolamine has been evaluated in the context of its industrial use. The compound is considered to have non-toxic characteristics. It has a purity of 97%. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for industrial and research purposes only.
References
[1]. Freshness-keeping film. WO2014142218A1.
Additional Infomation
Stearyldiethanolamine is safe... polyethylene glycol-2 stearamine...
Stearyldiethanolamine (CAS# 10213-78-2) is also known as N,N-bis(2-hydroxyethyl)stearylamine, PEG-2 Stearamine. It has the molecular formula C22H47NO2 and a molecular weight of 357.61. The compound is a tertiary amine with a long C18 stearyl chain. Stearyldiethanolamine is used in antimicrobial cling wrap and antimicrobial nonwovens. It acts as an emulsifier, stabilizer, and conditioning agent. The compound is a non-ionic antistatic agent.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C22H47NO2
Molecular Weight
357.61
Exact Mass
357.36
CAS #
10213-78-2
PubChem CID
61494
Appearance
Typically exists as solid at room temperature
Density
0.9±0.1 g/cm3
Boiling Point
481.2±20.0 °C at 760 mmHg
Melting Point
51ºC
Flash Point
201.2±20.4 °C
Vapour Pressure
0.0±2.7 mmHg at 25°C
Index of Refraction
1.474
LogP
8.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
21
Heavy Atom Count
25
Complexity
230
Defined Atom Stereocenter Count
0
SMILES
O([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChi Key
NDLNTMNRNCENRZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h24-25H,2-22H2,1H3
Chemical Name
2-[2-hydroxyethyl(octadecyl)amino]ethanol
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
Ethanol: 100 mg/mL (279.63 mM)
DMSO: 41.67 mg/mL (116.52 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.33 mg/mL (6.52 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 23.3 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.33 mg/mL (6.52 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 23.3 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 2.7963 mL 13.9817 mL 27.9634 mL
5 mM 0.5593 mL 2.7963 mL 5.5927 mL
10 mM 0.2796 mL 1.3982 mL 2.7963 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
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  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
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  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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