Ibuprofen
A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(2-methylpropyl)phenyl group. — ChEBI
Safety documents & references
1 indexed referencesFind a product-specific SDS
Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.
Identity & molecular properties
Source-linked values| CAS number | 15687-27-1 | ChEBI ↗ |
| Molecular formula | C13H18O2 | ChEBI ↗ |
| Molar mass | 206.285 g/mol | ChEBI ↗ |
| Monoisotopic mass | 206.13068 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:5855 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 206.28 g/mol | PubChem ↗ |
| Exact mass | 206.130679813 Da | PubChem ↗ |
| Computed XLogP | 3.5 | PubChem ↗ |
| Topological polar surface area (Ų) | 37.3 | PubChem ↗ |
| H-bond donors | 1 | PubChem ↗ |
| H-bond acceptors | 2 | PubChem ↗ |
| Rotatable bonds | 4 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifieribuprofen2-[4-(2-methylpropyl)phenyl]propanoic acidHEFNNWSXXWATRW-UHFFFAOYSA-NCC(C)Cc1ccc(C(C)C(=O)O)cc1InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Safety classification · Japan
NITE / Japanese governmentIbuprofen · 23A5140
| Endpoint | Reported classification |
|---|---|
| Acute toxicity （Oral） | Category 4 |
| Reproductive toxicity | Category 1B, Additional category: Effects on or via lactation |
| Specific target organ toxicity - Single exposure | Category 2 (central nervous system, digestive system) |
| Specific target organ toxicity - Repeated exposure | Category 2 (kidney) |
| Hazardous to the aquatic environment （Acute） | Category 2 |
| Hazardous to the aquatic environment （Long-term） | Category 2 |
Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.
Read the original NITE classificationMass ↔ amount of substance
Calculated from sourced massUses 206.285 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCOHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.