| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| 500mg | |||
| Other Sizes |
| Targets |
Diisohexyl phthalate does not have a specific biological target but is known to cause potential interference in analytical chromatographic analysis due to its retention time overlapping with other phthalates. As a plasticizer, it is an environmental contaminant that can leach from plastics. It is studied as an endocrine-disrupting chemical, but its mechanism of action is not fully characterized.
|
|---|---|
| ln Vitro |
In vitro, Diisohexyl phthalate is primarily studied for its potential as an analytical interferent in chromatographic analysis of other phthalates. It is not evaluated for traditional pharmacological activity. Its biological effects are studied in the context of environmental toxicology, where it is investigated as a potential endocrine disruptor. It serves as a reference standard for environmental monitoring.
|
| ln Vivo |
Diisohexyl phthalate is not a therapeutic agent and has no known in vivo therapeutic activity. It is an environmental contaminant that is studied in vivo for its toxicological effects. Animal studies are typically conducted to assess its potential for endocrine disruption, reproductive toxicity, and carcinogenicity. Its presence in the environment and human exposure are key concerns.
|
| Enzyme Assay |
In vitro assays for Diisohexyl phthalate are primarily analytical, using GC-MS or LC-MS to detect and quantify the compound in environmental and biological samples. It is also used as a standard in these analyses. In toxicological studies, in vitro assays can be used to assess its effects on hormone receptor signaling, using cell-based reporter gene assays for estrogen and androgen receptors.
|
| Cell Assay |
For in vitro cell-based assays, cell lines expressing hormone receptors (e.g., estrogen receptor, androgen receptor) are cultured and treated with Diisohexyl phthalate. Its potential for endocrine disruption is assessed by measuring changes in receptor-mediated gene expression using reporter gene assays. Cell viability and proliferation are assessed using standard assays like MTT.
|
| Animal Protocol |
In vivo animal studies with Diisohexyl phthalate are typically toxicological and conducted to assess its potential for endocrine disruption and reproductive toxicity. Rodents are administered the compound orally or via diet. Parameters such as reproductive organ weights, hormone levels, and fertility are measured. Histopathological examination of tissues is performed to assess organ toxicity.
|
| ADME/Pharmacokinetics |
Metabolism / Metabolites
Phthalate esters are first hydrolyzed to form their monoester derivatives. After formation, these monoester derivatives can be further hydrolyzed in the body to form phthalic acid or conjugate with glucuronic acid, both of which can be excreted. The terminal or penultimate carbon atom of the monoester can also be oxidized to form an alcohol, which can be directly excreted or first oxidized to form an aldehyde, ketone, or carboxylic acid. Both the monoester and its oxidized metabolites are excreted in urine and feces. (A2884) Diisohexyl phthalate (CAS: 71850-09-4) has a molecular weight of 334.45 g/mol and a molecular formula of C20H30O4. It is also known as Bis(4-methylpentyl)phthalate. It is a colorless to pale yellow oily liquid that is insoluble in water but soluble in organic solvents. It is typically stored at room temperature, protected from light. It is a standard substance for analytical applications. |
| Toxicity/Toxicokinetics |
Toxicity Summary
Phthalate esters are endocrine disruptors. They reduce testosterone production in the fetal testes and decrease the expression of steroid-producing genes by reducing mRNA expression. Some phthalates have also been shown to reduce the expression of insulin-like peptide-3 (insl3), an important hormone secreted by interstitial cells in the testes and crucial for the development of the gubernaculum testis. Animal studies have shown that these effects can disrupt reproductive development and may lead to various malformations in affected offspring. (A2883) Diisohexyl phthalate is classified as a potential endocrine disruptor, and its use is regulated in certain regions. Studies have shown that phthalates can cause reproductive and developmental toxicity in animal models. The compound is not intended for human therapeutic use. Standard laboratory safety precautions should be followed, especially when handling it as a neat compound. |
| Additional Infomation |
Diisohexyl phthalate is a phthalate ester. Phthalate esters are esters of phthalic acid, primarily used as plasticizers, mainly for softening polyvinyl chloride (PVC). They are found in a wide variety of products, including adhesives, building materials, personal care products, detergents and surfactants, packaging materials, children's toys, paints, pharmaceuticals, food, and textiles. Phthalate esters have endocrine-disrupting effects and are therefore harmful. Due to these health concerns, the United States and the European Union are phasing out phthalate esters in many products. (L1903)
Diisohexyl phthalate is a dialkyl phthalate ester and a plasticizer used to enhance the flexibility of plastics. It is also an environmental contaminant and a potential endocrine disruptor. It is not an approved drug and is intended for research and analytical use only, particularly as a reference standard for environmental monitoring. |
| Molecular Formula |
C20H30O4
|
|---|---|
| Molecular Weight |
334.4498
|
| Exact Mass |
530.107
|
| CAS # |
71850-09-4
|
| PubChem CID |
8970
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.5±0.1 g/cm3
|
| Boiling Point |
720.0±60.0 °C at 760 mmHg
|
| Flash Point |
277.8±34.9 °C
|
| Vapour Pressure |
0.0±2.2 mmHg at 25°C
|
| Index of Refraction |
1.676
|
| LogP |
6.71
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
12
|
| Heavy Atom Count |
24
|
| Complexity |
340
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C(OCCCC(C)C)(=O)C1=CC=CC=C1C(OCCCC(C)C)=O
|
| InChi Key |
ALEROMXYYSQFLX-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C20H30O4/c1-15(2)9-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-14-8-10-16(3)4/h5-6,11-12,15-16H,7-10,13-14H2,1-4H3
|
| Chemical Name |
bis(4-methylpentyl) benzene-1,2-dicarboxylate
|
| 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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 : PEG300 ：Tween 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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9900 mL | 14.9499 mL | 29.8998 mL | |
| 5 mM | 0.5980 mL | 2.9900 mL | 5.9800 mL | |
| 10 mM | 0.2990 mL | 1.4950 mL | 2.9900 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.
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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
