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1-Hydroxy-ibuprofen , CAS No.53949-53-4
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Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
1-Hydroxy Ibuprofen is a metabolite of Ibuprofen in P. australis. Ibuprofen is an anti-inflammatory inhibitor targeting COX-1 and COX-2 with IC 50 s of 13 μM and 370 μM, respectively.
Specifications
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Names and Identifiers
| Canonical Smiles | CC(C)C(C1=CC=C(C=C1)C(C)C(=O)O)O |
|---|---|
| IUPAC Name | 2-[4-(1-hydroxy-2-methylpropyl)phenyl]propanoic acid |
| InChIKey | RMOQYHYFRKTDRI-UHFFFAOYSA-N |
| INCHI | 1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16) |
| Isomeric SMILES | CC(C)C(C1=CC=C(C=C1)C(C)C(=O)O)O |
| PubChem CID | 45117195 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
- Superclass Phenylpropanoids and polyketides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Monocyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Monocyclic monoterpenoid - Phenylpropane - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Solution Calculators
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