Monobutyl phthalate-d4
Based on 1 publication(s) in Google Scholar
Monobutyl phthalate-d4 is the deuterium labeled Monobutyl phthalate. Monobutyl phthalate, a major metabolite of dibutyl phthalate (DBP), possesses antiandrogenic effects. Monobutyl phthalate is an embryotoxicant.
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- Pureza: 98.43%
- No. CAS: 478954-81-3
- Fòrmula: C12H10D4O4
- Peso molecular:226.26
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Almacenamiento:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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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
Publications Citing Use of MedChemExpress (MCE) Monobutyl phthalate-d4
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Actividad biológica
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
1. This compound can be used as a tracer
2. This compound can be used as an internal standard for quantitative analysis by NMR, GC-MS, or LC-MS.
Chemical Information
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No. CAS 478954-81-3
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Unlabeled Cas 131-70-4
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Appearance Solid
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Peso molecular 226.26
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Fòrmula C12H10D4O4
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Color White to off-white
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SMILES
CCCCOC(C1=C(C([2H])=C([2H])C([2H])=C1[2H])C(O)=O)=O
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Publications (1)
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Journal Impact Factor
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Most Recent
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Arch Toxicol
PBK modelling of phthalates and their metabolites and the application in next generation risk assessment. [Abstract]2026 Jun 27. PMID: 42363979
Solvente y solubilidad
DMSO : 100 mg/mL (441.97 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. 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. 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)
Pureza y Documentación
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Ficha de datos (272 KB)
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SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
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Instrucciones de manejo (2659 KB)
Referencias
[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [Content Brief]
[2]. van Dartel DA, et al. Early gene expression changes during embryonic stem cell differentiation into cardiomyocytes and their modulation by monobutyl phthalate. Reprod Toxicol. 2009 Apr;27(2):93-102. [Content Brief]
[3]. Ema M, et al. Antiandrogenic effects of dibutyl phthalate and its metabolite, monobutyl phthalate, in rats. Congenit Anom (Kyoto). 2002 Dec;42(4):297-308. [Content Brief]
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. 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 |
|---|---|---|---|---|---|
| DMSO | 1 mM | 4.4197 mL | 22.0985 mL | 44.1969 mL | 110.4924 mL |
| 5 mM | 0.8839 mL | 4.4197 mL | 8.8394 mL | 22.0985 mL | |
| 10 mM | 0.4420 mL | 2.2098 mL | 4.4197 mL | 11.0492 mL | |
| 15 mM | 0.2946 mL | 1.4732 mL | 2.9465 mL | 7.3662 mL | |
| 20 mM | 0.2210 mL | 1.1049 mL | 2.2098 mL | 5.5246 mL | |
| 25 mM | 0.1768 mL | 0.8839 mL | 1.7679 mL | 4.4197 mL | |
| 30 mM | 0.1473 mL | 0.7366 mL | 1.4732 mL | 3.6831 mL | |
| 40 mM | 0.1105 mL | 0.5525 mL | 1.1049 mL | 2.7623 mL | |
| 50 mM | 0.0884 mL | 0.4420 mL | 0.8839 mL | 2.2098 mL | |
| 60 mM | 0.0737 mL | 0.3683 mL | 0.7366 mL | 1.8415 mL | |
| 80 mM | 0.0552 mL | 0.2762 mL | 0.5525 mL | 1.3812 mL | |
| 100 mM | 0.0442 mL | 0.2210 mL | 0.4420 mL | 1.1049 mL |
Monobutyl phthalate-d4 Related Classifications
HY-N7143S Related Classifications
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