Introduction：Basic information about CAS 65813-55-0|1-Oxo Ibuprofen, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Oxo Ibuprofen |
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| CAS Number | 65813-55-0 | Molecular Weight | 220.26400 |
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| Density | 1.107g/cm3 | Boiling Point | 377.952ºC at 760 mmHg |
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| Molecular Formula | C13H16O3 | Melting Point | 85-87ºC |
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| MSDS | ChineseUSA | Flash Point | 196.555ºC |
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| Symbol |
GHS07 | Signal Word | Warning |
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Names
| Name | 1-Oxo Ibuprofen |
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| Synonym | More Synonyms |
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1-Oxo Ibuprofen BiologicalActivity
| Description | 1-Oxo Ibuprofen (Ibuprofen EP impurity J) is a degradation product and a potential impurity in preparations of Ibuprofen. Ibuprofen is an anti-inflammatory inhibitor targeting COX-1 and COX-2 with IC50s of 13 μM and 370 μM, respectively[1][2]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. YongFang Rao, et al. Degradation of ibuprofen by a synergistic UV/Fe(III)/Oxone process. Chemical Engineering Journal. Volume 283, 1 January 2016, Pages 65-75. [2]. Noreen Y, et al. Development of a radiochemical cyclooxygenase-1 and -2 in vitro assay for identification of natural products as inhibitors of prostaglandin biosynthesis. J Nat Prod. 1998 Jan;61(1):2-7. |
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Chemical & Physical Properties
| Density | 1.107g/cm3 |
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| Boiling Point | 377.952ºC at 760 mmHg |
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| Melting Point | 85-87ºC |
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| Molecular Formula | C13H16O3 |
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| Molecular Weight | 220.26400 |
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| Flash Point | 196.555ºC |
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| Exact Mass | 220.11000 |
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| PSA | 54.37000 |
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| LogP | 2.71340 |
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| Index of Refraction | 1.528 |
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| InChIKey | RCINGEKPKJQCMO-UHFFFAOYSA-N |
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| SMILES | CC(C)C(=O)c1ccc(C(C)C(=O)O)cc1 |
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| Storage condition | -20°C Freezer |
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Safety Information
| Symbol |
GHS07 |
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| Signal Word | Warning |
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| Hazard Statements | H302 |
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| Precautionary Statements | P301 + P312 + P330 |
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| Hazard Codes | Xn |
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| Risk Phrases | 22 |
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| RIDADR | NONH for all modes of transport |
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| HS Code | 2918300090 |
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Customs
| HS Code | 2918300090 |
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| Summary | 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| 2-[4-(2-methylpropanoyl)phenyl]propanoic acid |
