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Glycol salicylate

Cat No.:V28999 Purity: ≥98%
Glycol salicylate is an analogue of salicylic acid that may be utilized to improve the aesthetic appearance of the skin.
Glycol salicylate
Glycol salicylate Chemical Structure CAS No.: 87-28-5
Product category: New1
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Glycol salicylate is an analogue of salicylic acid that may be utilized to improve the aesthetic appearance of the skin. It is from patent US 20150148320 A1.
Biological Activity I Assay Protocols (From Reference)
ADME/Pharmacokinetics
Absorption, Distribution and Excretion
Salicylate absorption follows first-order kinetics, with an absorption half-life of 5 to 16 minutes. Salicylate is typically excreted. Metabolism/Metabolites The metabolism of ethylene glycol salicylate is similar to that of other salicylates. The metabolic pathways of salicylate include: glucuronide formation (to salicylglucuronide and salicylphenol glucuronide), conjugation with glycine (to salicyluric acid), and oxidation to gentic acid. At low salicylate concentrations, the rates of salicylphenol glucuronide and salicyluric acid formation readily saturate, following Michaelis-Menten kinetics. Higher doses result in longer times required to reach steady-state salicylate concentrations. There is also evidence that enzymatic induction of salicyluric acid formation occurs during salicylate metabolism. Biological Half-Life The serum half-life of salicylate [DB00945] is 20 minutes.
Toxicity/Toxicokinetics
Protein Binding
The plasma protein binding rate of salicylic acid depends on concentration and exhibits significant individual differences.
References

[1]. Cosmetic use of salicylic acid derivatives. US 20150148320 A1.

Additional Infomation
2-Hydroxyethyl Salicylate is a benzoic acid ester formed by the condensation of the carboxyl group of salicylic acid with a hydroxyl group of ethylene glycol. It belongs to the phenolic, primary alcohol, and salicylate class of compounds. Its function is related to ethylene glycol and salicylic acid. Ethylene glycol salicylate, also known as 2-hydroxyethyl salicylate, is a benzoic acid ester formed by the condensation of the carboxyl group of salicylic acid with a hydroxyl group of ethylene glycol. It is an active ingredient used in topical analgesic patches to relieve mild to moderate muscle and joint pain. This drug belongs to the salicylate class of drugs, which are used as analgesics to treat mild to moderate pain. Ethylene glycol salicylate (GS), composed of salicylic acid (SA) and ethylene glycol, is a nonsteroidal anti-inflammatory drug (NSAID). This ingredient is a key component in many topical creams and sprays used to relieve muscle, joint, and tendon pain, soreness, and stiffness.
Drug Indications
This product is recommended only for the relief of muscle pain and rheumatic pain in humans and animals.
Mechanism of Action Similar to other salicylates. Salicylates, along with other analgesics and anti-inflammatory drugs, particularly nonsteroidal anti-inflammatory drugs (NSAIDs) primarily used for rheumatic diseases, reduce prostaglandin synthesis by inhibiting cyclooxygenase. Pharmacodynamics Temporarily relieves mild to moderate pain. Works synergistically with ingredients that have a counterstimulatory effect, such as menthol. Topical analgesics relieve muscle or joint pain by stimulating or mildly inflamed skin, working by reducing inflammation in deeper, adjacent tissues. Analgesics relieve pain by interfering with the brain's reception of pain signals caused by conditions such as osteoarthritis (OA) or injuries such as sprains and strains. These drugs may cause vasodilation or skin irritation, producing a false feeling of heat or warmth.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C9H10O4
Molecular Weight
182.1733
Exact Mass
182.057
CAS #
87-28-5
PubChem CID
6880
Appearance
Colorless to light yellow liquid
Density
1.3±0.1 g/cm3
Boiling Point
294.3±0.0 °C at 760 mmHg
Melting Point
25°C
Flash Point
128.3±15.8 °C
Vapour Pressure
0.0±0.6 mmHg at 25°C
Index of Refraction
1.573
LogP
1.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Heavy Atom Count
13
Complexity
169
Defined Atom Stereocenter Count
0
SMILES
O=C(C1C(O)=CC=CC=1)OCCO
InChi Key
LVYLCBNXHHHPSB-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H10O4/c10-5-6-13-9(12)7-3-1-2-4-8(7)11/h1-4,10-11H,5-6H2
Chemical Name
2-hydroxyethyl 2-hydroxybenzoate
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

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)
DMSO : ~160 mg/mL (~878.30 mM)
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 5.4894 mL 27.4469 mL 54.8938 mL
5 mM 1.0979 mL 5.4894 mL 10.9788 mL
10 mM 0.5489 mL 2.7447 mL 5.4894 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

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
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)
  • Click the “Calculate” button
  • 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)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • 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:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
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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