Estradiene dione-3-keta
- Product NameEstradiene dione-3-keta
- CAS5571-36-8
- CBNumberCB8475619
- MFC20H26O3
- MW314.43
- EINECS427-230-8
- MDL NumberMFCD08062585
- MOL File5571-36-8.mol
Chemical Properties
| Melting point: | 152-154°C |
| Boiling point: | 488.1±45.0 °C(Predicted) |
| Density | 1.20±0.1 g/cm3(Predicted) |
| vapor pressure | 0Pa at 25℃ |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Sparingly, Heated, Sonicated), Methanol (Slightly) |
| form | Solid |
| color | White to Light Yellow |
| optical activity | Consistent with structure |
| Water Solubility | 903μg/L at 25℃ |
| InChI | InChI=1/C20H26O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-17H,2-5,7-12H2,1H3/t16-,17+,19+/s3 |
| InChIKey | XUOQKQRMICQUQC-GDJQEYATNA-N |
| SMILES | C[C@@]12C(CC[C@@]1([H])[C@]1([H])CCC3CC4(OCCO4)CCC=3C1=CC2)=O |&1:1,5,7,r| |
| LogP | 4.74 |
Safety
| Symbol(GHS) |
  GHS08,GHS09 |
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| Signal word | Danger | |||||||||
| Hazard statements | H360-H373-H411 | |||||||||
| Precautionary statements | P201-P202-P260-P273-P280-P308+P313-P391-P405-P501 | |||||||||
| RIDADR | 3077 | |||||||||
| HS Code | 2937.23.5050 | |||||||||
| HazardClass | 9 | |||||||||
| PackingGroup | III | |||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 5.0 kg (11 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704: |
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