| Chemical & Physical Properties | |
|---|---|
| CAS Number | 65813-55-0 |
| Catalog No. | 2A-3175271 |
| Chinese Name | 布洛芬杂质 |
| Synonyms | 2-[4-(2-methylpropanoyl)phenyl]propanoic acid |
| Molecular Formula | C13H16O3 |
| Molecular Weight | 220.26 |
| Density | 1.107g/cm3 |
| Boiling Point | 377.952ºC at 760 mmHg |
| Melting Point | 85-87ºC |
| Storage Condition | -20°C Freezer |
| Application | 1-Oxo Ibuprofen (Ibuprofen EP impurity J) is a degradation product and a potential impurity in Ibuprofen formulations. Ibuprofen is an anti-inflammatory inhibitor of COX-1 and COX-2 with IC50 of 13 μM |
| HTC | 2918300090 |
| MDL Number | MFCD08275584 |
| SMILES | OC(C(C)C1=CC=C(C(C(C)C)=O)C=C1)=O |
| InChI | 1S/C13H16O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9H,1-3H3,(H,15,16) |
| InChI Key | RCINGEKPKJQCMO-UHFFFAOYSA-N |
| Beilstein/REAXYS | 2844898 |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | transportation |
| MSDS | msds/175693_1_65813_55_0.pdf |
| Bioactivity | 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]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others 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. Chemical & Physical Properties Density 1.107g/cm3 Boiling Point 377.952ºC at 760 mmHg Melting Point 85-87ºC Molecular Formula C13H16O3 Molecular Weight 220.26400 Flash Point 196.555ºC Exact Mass 220.11000 PSA 54.37000 LogP 2.71340 Index of Refraction 1.528 InChIKey RCINGEKPKJQCMO-UHFFFAOYSA-N SMILES CC(C)C(=O)c1ccc(C(C)C(=O)O)cc1 Storage condition -20°C Freezer |
| Use of | 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]. Properties Name 1-Oxo Ibuprofen Synonym More Synonyms 1-Oxo Ibuprofen Biological Activity 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]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others 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. Chemical & Physical Properties Molecular Formula C13H16O3 Exact Mass 220.11000 PSA 54.37000 LogP 2.71340 Index of Refraction 1.528 InChIKey RCINGEKPKJQCMO-UHFFFAOYSA-N |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Shipping Name: UN |
| MSDS Transport Info | Module 14. Shipping information European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special precautions No data available |
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