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3-(4-Hydroxyphenyl)-1-propanol

Cat No.:V34122 Purity: ≥98%
3-(4-Hydroxyphenyl)-1-propanol may be used in the preparation /synthesis of (−)-centrolobine.
3-(4-Hydroxyphenyl)-1-propanol
3-(4-Hydroxyphenyl)-1-propanol Chemical Structure CAS No.: 10210-17-0
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
500mg
Other Sizes
Official Supplier of:
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Product Description
3-(4-Hydroxyphenyl)-1-propanol may be used in the preparation /synthesis of (−)-centrolobine.
3-(4-Hydroxyphenyl)-1-propanol (CAS# 10210-17-0) is a phenolic compound found in the fruits of Zanthoxylum cuspidatum. It has also been reported to exist in Eucalyptus grandis, Taiwan cedar, and other organisms. The compound has a certain degree of regulation of plant growth and development and is used as a reagent in the synthesis of heteroarylmethoxyphenylalkoxyiminoalkylcarboxylic acids as leukotriene biosynthesis inhibitors.
Biological Activity I Assay Protocols (From Reference)
Targets
3-(4-Hydroxyphenyl)-1-propanol does not have a specific therapeutic target but is used as a building block in organic synthesis. It is a reagent in the synthesis of leukotriene biosynthesis inhibitors. The compound may also have biological activities related to its phenolic structure, including antioxidant properties. In plants, it regulates growth and development.
ln Vitro
In vitro, 3-(4-Hydroxyphenyl)-1-propanol is used as a chemical intermediate in the synthesis of bioactive compounds. It has a certain degree of regulation of plant growth and development. Its phenolic structure suggests potential antioxidant activity, although detailed in vitro pharmacological studies are limited. The compound is also used in the synthesis of (-)-centrolobine.
ln Vivo
In vivo, 3-(4-Hydroxyphenyl)-1-propanol is a natural product found in various plant species. Its role in plant growth and development suggests it may function as a signaling molecule in plants. In animals, its effects would be dependent on the final compound synthesized from it. Detailed in vivo pharmacological studies are limited.
Enzyme Assay
For in vitro synthesis protocols, 3-(4-Hydroxyphenyl)-1-propanol is used as a starting material or intermediate in organic synthesis. The compound is dissolved in a suitable solvent and reacted with appropriate reagents under controlled conditions. The reaction progress is monitored by TLC or HPLC. The product is purified by column chromatography or recrystallization and characterized by NMR and mass spectrometry.
Cell Assay
For in vitro cell-based assays, 3-(4-Hydroxyphenyl)-1-propanol can be tested for its biological activity, particularly its potential antioxidant effects. Cells are treated with the compound at various concentrations (typically 1-100 µM) for 24-48 hours. Cellular oxidative stress markers, such as reactive oxygen species (ROS) levels, are measured using fluorescent probes. Cell viability is assessed using MTT assays.
Animal Protocol
For in vivo animal experiments, 3-(4-Hydroxyphenyl)-1-propanol is not typically administered as a standalone compound. The compounds synthesized from it may be tested in animal models. The pharmacokinetics and pharmacodynamics of these compounds would be evaluated based on their specific targets. The compound itself is primarily used as a research intermediate.
ADME/Pharmacokinetics
Pharmacokinetic data for 3-(4-Hydroxyphenyl)-1-propanol are limited, as it is primarily used as a chemical intermediate. As a small molecule with a molecular weight of 152.19 g/mol and formula C₉H₁₂O₂, it is expected to be rapidly absorbed and metabolized if administered. Its phenolic structure suggests it may undergo conjugation and oxidation in the liver.
Toxicity/Toxicokinetics
Toxicological data for 3-(4-Hydroxyphenyl)-1-propanol are limited. As a phenolic compound, it may cause irritation at high concentrations. The compound is classified as a research-grade reagent and is not for human therapeutic use. Standard laboratory safety practices should be followed when handling.
Additional Infomation
3-(4-hydroxyphenyl)-1-propanol is a type of phenolic compound. It has been reported to exist in Eucalyptus grandis, Taiwan cedar, and other organisms for which relevant data exists.
3-(4-Hydroxyphenyl)-1-propanol is a research-use only compound and has not been approved for clinical applications. Its molecular weight is 152.19, and its formula is C₉H₁₂O₂. The compound is available from various research chemical suppliers for organic synthesis and natural product research. It is used as a reagent in the synthesis of leukotriene biosynthesis inhibitors.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C9H12O2
Molecular Weight
152.1904
Exact Mass
152.083
CAS #
10210-17-0
PubChem CID
82452
Appearance
Off-white to light yellow solid powder
Density
1.1±0.1 g/cm3
Boiling Point
311.6±17.0 °C at 760 mmHg
Melting Point
51-54ºC(lit.)
Flash Point
154.4±15.5 °C
Vapour Pressure
0.0±0.7 mmHg at 25°C
Index of Refraction
1.565
LogP
1.14
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Heavy Atom Count
11
Complexity
95.7
Defined Atom Stereocenter Count
0
SMILES
O([H])C([H])([H])C([H])([H])C([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])O[H]
InChi Key
NJCVPQRHRKYSAZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C9H12O2/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,10-11H,1-2,7H2
Chemical Name
4-(3-hydroxypropyl)phenol
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 : ~25 mg/mL (~164.27 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 1 mg/mL (6.57 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: 1 mg/mL (6.57 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 10.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
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.

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Solubility in Formulation 3: ≥ 1 mg/mL (6.57 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 10.0 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 6.5707 mL 32.8537 mL 65.7073 mL
5 mM 1.3141 mL 6.5707 mL 13.1415 mL
10 mM 0.6571 mL 3.2854 mL 6.5707 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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