2-Methylhexanoic acid
Based on 1 Customer Validation
2-Methylhexanoic acid is a saturated branched-chain carboxylic acid with a strong "fatty" or "oily" odor. At high concentrations, it is often described as having the smell of lard, chicken fat or sweat; when diluted, it exhibits a dairy, cream or cheese aroma. Therefore, it is commonly used in the formulation of milk, meat (pork/chicken) and baked food flavors. 2-Methylhexanoic acid occurs naturally in fresh apples, cheese, grape brandy, lamb, potatoes and tea.
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- Pureza : 98.0%
- No. CAS: 4536-23-6
- Fòrmula: C7H14O2
- Peso molecular:130.19
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Almacenamiento:
4°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Pureza y Documentación
- Referencias
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Help & FAQs
Actividad biológica
Descripciòn
In Vitro
2-Methylhexanoic acid does not exhibit genotoxicity or cytotoxicity in human cells in the BlueScreen assay, with and without metabolic activation[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. .
In Vivo
2-Methylhexanoic acid (10-250 mg/kg/day; p.o., gavage; daily; male: 42 days; female: 41-53 days) (via read-across to 2-ethylbutyric acid) has a repeated dose NOAEL of 10 mg/kg/day for males, 50 mg/kg/day for females; a fertility NOAEL of 250 mg/kg/day; and a developmental toxicity NOAEL of 50 mg/kg/day in Sprague Dawley rats[1].
2-Methylhexanoic acid (300 mg/kg/day; dietary; daily; 90 days) (via read-across to 2-ethylbutyric acid) has a 90-day repeated dose NOAEL of 300 mg/kg/day in male Sprague Dawley rats[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:BDF1 (male)[1]
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Dosage:500 mg/kg; 1000 mg/kg; 2000 mg/kg
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Administration:p.o.; single dose
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Result:Showed no statistically significant increase in the incidence of micronucleated polychromatic erythrocytes in bone marrow at any tested dose.
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Animal Model:Sprague Dawley (13/sex/dose; male: 42-day treatment; female: 41-53-day treatment)[1]
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Dosage:10 mg/kg/day; 50 mg/kg/day; 250 mg/kg/day
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Administration:p.o., gavage; daily; male: 42 days; female: 41-53 days
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Result:Reduced white blood cell counts statistically significantly at 50 and 250 mg/kg/day, and platelet counts at 250 mg/kg/day in male rats.
Showed minor, toxicologically insignificant increases in γ-GT activity at 50 and 250 mg/kg/day, and increased kidney weights at 250 mg/kg/day with no correlated functional or histopathological changes in female rats.
Caused no treatment-related effects in estrous cycle, reproductive performance, gestation length, ovulation, implantation parameters, or pup viability/body weights.
Decreased live newborns, birth index, live birth index (day 0), and live pups (day 4) statistically significantly in high-dose females, with no dose-dependent behavioral abnormalities or delivery delays noted at mid and high doses.
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Animal Model:Sprague Dawley (male, 6/dose)[1]
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Dosage:300 mg/kg/day
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Administration:dietary; daily; 90 days
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Result:Showed no statistically significant treatment-related alterations in any measured parameters.
Chemical Information
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No. CAS 4536-23-6
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Appearance Liquid (Density: 0.918 g/cm3)
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Peso molecular 130.19
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Fòrmula C7H14O2
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Color Colorless to light yellow
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SMILES
CCCCC(C)C(O)=O
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
4°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
Solvente y solubilidad
In Vitro:
DMSO : 100 mg/mL (768.11 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (19.20 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (19.20 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL. * In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Pureza y Documentación
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Ficha de datos (278 KB)
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SDS (627 KB)
- English - EN (627 KB)
- Français - FR (627 KB)
- Deutsch - DE (627 KB)
- Norwegian - NO (627 KB)
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- Swedish - SV (627 KB)
- Italian - IT (627 KB)
- Korean - KR (627 KB)
- Portuguese - PT (627 KB)
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Instrucciones de manejo (2659 KB)
Referencias
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
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| DMSO | 1 mM | 7.6811 mL | 38.4054 mL | 76.8108 mL | 192.0270 mL |
| 5 mM | 1.5362 mL | 7.6811 mL | 15.3622 mL | 38.4054 mL | |
| 10 mM | 0.7681 mL | 3.8405 mL | 7.6811 mL | 19.2027 mL | |
| 15 mM | 0.5121 mL | 2.5604 mL | 5.1207 mL | 12.8018 mL | |
| 20 mM | 0.3841 mL | 1.9203 mL | 3.8405 mL | 9.6014 mL | |
| 25 mM | 0.3072 mL | 1.5362 mL | 3.0724 mL | 7.6811 mL | |
| 30 mM | 0.2560 mL | 1.2802 mL | 2.5604 mL | 6.4009 mL | |
| 40 mM | 0.1920 mL | 0.9601 mL | 1.9203 mL | 4.8007 mL | |
| 50 mM | 0.1536 mL | 0.7681 mL | 1.5362 mL | 3.8405 mL | |
| 60 mM | 0.1280 mL | 0.6401 mL | 1.2802 mL | 3.2005 mL | |
| 80 mM | 0.0960 mL | 0.4801 mL | 0.9601 mL | 2.4003 mL | |
| 100 mM | 0.0768 mL | 0.3841 mL | 0.7681 mL | 1.9203 mL |
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