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Monoethyl phthalate

Cat No.:V72288 Purity: ≥98%
Monoethyl phthalate, a metabolite of diethyl phosphate, can serve as a urinary biomarker of phthalate exposure, indicating the risk of thyroid cancer and benign nodules.
Monoethyl phthalate
Monoethyl phthalate Chemical Structure CAS No.: 2306-33-4
Product category: Drug Metabolite
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
Other Sizes

Other Forms of Monoethyl phthalate:

  • Monoethyl phthalate-d4
Official Supplier of:
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Top Publications Citing lnvivochem Products
Product Description
Monoethyl phthalate, a metabolite of diethyl phosphate, can serve as a urinary biomarker of phthalate exposure, indicating the risk of thyroid cancer and benign nodules.
Monoethyl phthalate (MEP) is a phthalic acid monoester formed by the condensation of one carboxyl group of phthalic acid with ethanol. It is the primary hydrolytic metabolite of diethyl phthalate (DEP) and serves as a urinary biomarker of phthalate exposure. It has implications in reproductive toxicity research.
Biological Activity I Assay Protocols (From Reference)
Targets
Monoethyl phthalate is an orally active PDX-1 activator. It targets aromatase (CYP19A1) and peroxisome proliferator-activated receptors (PPAR) to promote cell proliferation. As a urinary biomarker, it indicates the risk of thyroid cancer and benign nodules.
ln Vitro
In vitro, monoethyl phthalate acts as a PDX-1 activator and targets aromatase and PPAR to promote cell proliferation. It is used in cell-based assays to study the effects of phthalate metabolites on endocrine function and cell proliferation. The compound's activity is assessed by measuring cell proliferation and gene expression changes.
ln Vivo
In vivo, monoethyl phthalate is the primary hydrolytic metabolite of diethyl phthalate and is excreted in urine. It serves as a urinary biomarker of phthalate exposure, indicating the risk of thyroid cancer and benign nodules. It has been detected in various biological fluids and is used in reproductive toxicity research.
Enzyme Assay
In vitro assays for monoethyl phthalate typically involve its use as a reference standard in LC-MS/MS methods for quantifying phthalate metabolites in urine or plasma. The compound is also used in cell-based assays to study its effects on PDX-1 activation, aromatase activity, and PPAR signaling. Cell proliferation is measured by MTT or BrdU incorporation assays.
Cell Assay
For in vitro cell assays, cells are cultured and treated with monoethyl phthalate at concentrations ranging from 0.1-100 µM. Cell proliferation is assessed by MTT or BrdU incorporation assays. PDX-1 activation is measured by luciferase reporter assays. Aromatase activity is assessed by measuring estrogen production. PPAR signaling is evaluated by qPCR of target genes.
Animal Protocol
For in vivo animal studies, monoethyl phthalate is typically administered to rodents via oral gavage to study its metabolism and excretion. Urine and blood samples are collected, and the compound is quantified by LC-MS/MS. Toxicological studies assess the effects of phthalate exposure on reproductive and endocrine function. The compound is also measured as a biomarker in exposure studies.
ADME/Pharmacokinetics
Monoethyl phthalate (MW 194.18) has the molecular formula C10H10O4. It is a white, water-soluble powder. The compound is stable under recommended storage conditions. As the primary metabolite of diethyl phthalate, it is used as a urinary biomarker of phthalate exposure. It is a phthalic acid monoester and a benzoic acid derivative.
Toxicity/Toxicokinetics
The compound is for research use only. Monoethyl phthalate has implications in reproductive toxicity research. As a metabolite of phthalates, it may have endocrine-disrupting effects at high concentrations. Standard laboratory safety precautions should be followed when handling this compound.
References

[1]. Urinary biomarkers of phthalates exposure and risks of thyroid cancer and benign nodule. J Hazard Mater. 2020 Feb 5;383:121189.

[2]. Low dose monoethyl phthalate (MEP) exposure triggers proliferation by activating PDX-1 at 1.1B4 human pancreatic beta cells. Food Chem Toxicol. 2016 Jul;93:41-50.

Additional Infomation
Monoethyl phthalate is a phthalic acid monoester formed by the condensation of a carboxyl group of phthalic acid with ethanol. It is a metabolite. It is both an ethyl ester and a monoethyl phthalate. Monoethyl phthalate (mEtP) is a metabolite or degradation product of diethyl phthalate and is used in perfumes, colognes, deodorants, soaps, shampoos, lotions, and other personal care products, especially those containing fragrances.
Monoethyl phthalate (CAS# 2306-33-4) is the primary hydrolytic metabolite of diethyl phthalate and a urinary biomarker of phthalate exposure. It has not been approved as a therapeutic agent. The compound is used in research on phthalate metabolism, reproductive toxicity, and endocrine disruption. It indicates the risk of thyroid cancer and benign nodules and is widely used in environmental and public health research.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C10H10O4
Molecular Weight
194.18
Exact Mass
194.057
CAS #
2306-33-4
Related CAS #
Monoethyl phthalate-d4;1219806-03-7
PubChem CID
75318
Appearance
Colorless to light yellow liquid
Density
1.2±0.1 g/cm3
Boiling Point
339.6±25.0 °C at 760 mmHg
Melting Point
46-48ºC
Flash Point
135.3±16.7 °C
Vapour Pressure
0.0±0.8 mmHg at 25°C
Index of Refraction
1.547
LogP
1.66
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Heavy Atom Count
14
Complexity
224
Defined Atom Stereocenter Count
0
SMILES
CCOC(=O)C1=CC=CC=C1C(=O)O
InChi Key
YWWHKOHZGJFMIE-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12)
Chemical Name
2-ethoxycarbonylbenzoic acid
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)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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 5.1499 mL 25.7493 mL 51.4986 mL
5 mM 1.0300 mL 5.1499 mL 10.2997 mL
10 mM 0.5150 mL 2.5749 mL 5.1499 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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