Estrone
A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17. — 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 | 53-16-7 | ChEBI ↗ |
| Molecular formula | C18H22O2 | ChEBI ↗ |
| Molar mass | 270.372 g/mol | ChEBI ↗ |
| Monoisotopic mass | 270.16198 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:17263 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 270.4 g/mol | PubChem ↗ |
| Exact mass | 270.161979940 Da | PubChem ↗ |
| Computed XLogP | 3.1 | PubChem ↗ |
| Topological polar surface area (Ų) | 37.3 | PubChem ↗ |
| H-bond donors | 1 | PubChem ↗ |
| H-bond acceptors | 2 | PubChem ↗ |
| Rotatable bonds | 0 | 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 identifierestrone3-hydroxyestra-1,3,5(10)-trien-17-oneDNXHEGUUPJUMQT-CBZIJGRNSA-N[H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1Names & 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 government1,3,5(10)-Estratrien-3-ol-17-one [Estrone] · H29-A-013
| Endpoint | Reported classification |
|---|---|
| Carcinogenicity | Category 1A |
| Reproductive toxicity | Category 1A |
| Specific target organ toxicity - Repeated exposure | Category 1 (blood coagulation system, nervous system, gallbladder) |
| Hazardous to the aquatic environment （Acute） | Category 2 |
| Hazardous to the aquatic environment （Long-term） | Category 1 |
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 270.372 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.