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Isopropyl 4-hydroxybenzoate (Isopropylparaben)

Cat No.:V53673 Purity: ≥98%
Isopropyl 4-hydroxybenzoate (Isopropylparaben) is an anti-bacterial agent and antioxidant.
Isopropyl 4-hydroxybenzoate (Isopropylparaben)
Isopropyl 4-hydroxybenzoate (Isopropylparaben) Chemical Structure CAS No.: 4191-73-5
Product category: Bacterial
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
50mg
100mg
Other Sizes

Other Forms of Isopropyl 4-hydroxybenzoate (Isopropylparaben):

  • Isopropyl 4-hydroxybenzoate-d4 (Isopropylparaben-d4)
Official Supplier of:
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Product Description
Isopropyl 4-hydroxybenzoate (Isopropylparaben) is an anti-bacterial agent and antioxidant.
Isopropyl 4-hydroxybenzoate (CAS 4191-73-5), also known as isopropylparaben, is a paraben-class antimicrobial preservative. It has a molecular formula of C₁₀H₁₂O₃ and a molecular weight of 180.20 g/mol. Isopropylparaben is an antimicrobial and antioxidant agent. The compound is used in cosmetic products, personal care items, and pharmaceutical formulations as a preservative. It has a melting point of 84-86°C.
Biological Activity I Assay Protocols (From Reference)
Targets
The primary target of isopropylparaben is microorganisms, including bacteria. The compound acts as an antimicrobial agent. Its mechanism of action involves disrupting microbial cell processes, inhibiting the growth of microorganisms. Isopropylparaben also exhibits antioxidant activity. The compound's preservative function is based on its antimicrobial properties.
ln Vitro
In vitro studies have demonstrated the antimicrobial and antioxidant activities of isopropylparaben. The compound is effective against various bacteria. Isopropylparaben's antimicrobial activity has been characterized in standard microbiological assays. Its in vitro activity supports its use as a preservative in various products.
ln Vivo
In vivo activity of isopropylparaben has not been extensively reported. The compound is primarily used as a preservative in cosmetic and pharmaceutical products. Animal model studies evaluating its in vivo effects have not been extensively published. Further studies are needed to fully characterize its in vivo biological activity.
Enzyme Assay
For antimicrobial activity testing, standard agar diffusion or broth microdilution methods are used. Bacteria are cultured on appropriate media and exposed to serial dilutions of isopropylparaben. MIC values are determined after 24-48 hours of incubation. Standard protocols for antimicrobial preservative efficacy testing are described in the literature.
Cell Assay
For in vitro cell-based studies, bacterial cells are cultured in appropriate media and treated with serial dilutions of isopropylparaben. Bacterial growth is assessed by measuring optical density or colony counting. The compound's antioxidant activity may be assessed using DPPH or other radical scavenging assays. Standard protocols for antimicrobial and antioxidant assays are described in the literature.
Animal Protocol
In vivo animal studies for isopropylparaben have not been extensively reported. For similar paraben compounds, animal models may be used to evaluate safety and toxicity. The compound would be administered via oral or other routes. Standard protocols for in vivo toxicology studies can be adapted from the literature.
ADME/Pharmacokinetics
Pharmacokinetic properties of isopropylparaben have been characterized. The compound has a LogP of 1.9574. It has a molecular weight of 180.20 g/mol. Specific PK parameters such as half-life and bioavailability have been reported in the literature. The compound is typically stored as a powder at -20°C for up to 3 years.
Toxicity/Toxicokinetics
Toxicological data for isopropylparaben are available from regulatory assessments. As a paraben compound, it has been evaluated for safety in cosmetic and pharmaceutical applications. Standard toxicology studies have been conducted. The compound is considered safe for use as a preservative at approved concentrations.
References
[1]. Stela Katavic, et al. In vitro assessment of the antioxidative, toxicological and antimicrobial properties of battery of parabens. Drug Chem Toxicol. 2023 Jun 19;1-10.
Additional Infomation
Isopropyl p-hydroxybenzoate is a 4-hydroxybenzoate.
Isopropylparaben is a paraben-class antimicrobial preservative used in cosmetic products, personal care items, and pharmaceutical formulations. It is an antimicrobial and antioxidant agent. The compound is available as a research chemical for preservative and antimicrobial studies. No clinical or therapeutic applications have been reported.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C10H12O3
Molecular Weight
180.20
Exact Mass
180.078
CAS #
4191-73-5
Related CAS #
Isopropyl 4-hydroxybenzoate-d4;1219798-72-7
PubChem CID
20161
Appearance
White to off-white solid
Density
1.1±0.1 g/cm3
Boiling Point
286.9±13.0 °C at 760 mmHg
Melting Point
84-86°C
Flash Point
120.4±12.6 °C
Vapour Pressure
0.0±0.6 mmHg at 25°C
Index of Refraction
1.530
LogP
2.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Heavy Atom Count
13
Complexity
169
Defined Atom Stereocenter Count
0
SMILES
O(C(C1C([H])=C([H])C(=C([H])C=1[H])O[H])=O)C([H])(C([H])([H])[H])C([H])([H])[H]
InChi Key
CMHMMKSPYOOVGI-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H12O3/c1-7(2)13-10(12)8-3-5-9(11)6-4-8/h3-7,11H,1-2H3
Chemical Name
propan-2-yl 4-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: ~100 mg/mL (~554.9 mM; with ultrasonication)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 5 mg/mL (27.75 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 5 mg/mL (27.75 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well.
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.

Solubility in Formulation 3: ≥ 5 mg/mL (27.75 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 DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 5.5494 mL 27.7469 mL 55.4939 mL
5 mM 1.1099 mL 5.5494 mL 11.0988 mL
10 mM 0.5549 mL 2.7747 mL 5.5494 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
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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)
  • 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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