Introduction：Basic information about CAS 362049-51-2|Methyl 4-hydroxy(2H4)benzoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Methyl 4-hydroxy(2H4)benzoate |
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| CAS Number | 362049-51-2 | Molecular Weight | 156.172 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 265.5±13.0 °C at 760 mmHg |
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| Molecular Formula | C8H4D4O3 | Melting Point | / |
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| MSDS | / | Flash Point | 116.4±12.6 °C |
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Names
| Name | methyl 2,3,5,6-tetradeuterio-4-hydroxybenzoate |
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| Synonym | More Synonyms |
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Methyl 4-hydroxy(2H4)benzoate BiologicalActivity
| Description | Methyl paraben-d4 is the deuterium labeled Methyl Paraben[1]. Methyl Paraben, isolated from the barks of Tsuga dumosa the methyl ester of p-hydroxybenzoic acid, is a standardized chemical allergen. Methyl Paraben is a stable, non-volatile compound used as an antimicrobial preservative in foods, drugs and cosmetics. The physiologic effect of Methyl Paraben is by means of increased histamine release, and cell-mediated immunity[2]. |
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| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial |
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| In Vitro | 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]. |
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| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. Soni MG, et al. Evaluation of the health aspects of methyl paraben: a review of the published literature. Food Chem Toxicol. 2002 Oct;40(10):1335-73. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 265.5±13.0 °C at 760 mmHg |
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| Molecular Formula | C8H4D4O3 |
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| Molecular Weight | 156.172 |
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| Flash Point | 116.4±12.6 °C |
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| Exact Mass | 156.072449 |
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| PSA | 46.53000 |
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| LogP | 1.87 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.547 |
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| InChIKey | LXCFILQKKLGQFO-QFFDRWTDSA-N |
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| SMILES | COC(=O)c1ccc(O)cc1 |
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Synonyms
| Mekkings M-d4 |
| methyl 4-hydroxybenzoate-2,3,5,6-d4 |
| Paridol-d4 |
| Preserval-d4 |
| Metaben-d4 |
| Metagin-d4 |
| Methyl Paraben-d4 |
| Solbrol-d4 |
| Benzoic-2,3,5,6-d acid, 4-hydroxy-, methyl ester |
| Maseptol-d4 |
| Methyl 4-hydroxy(H)benzoate |
| Killitol-d4 |
| Danisol M-d4 |
