Introduction：Basic information about CAS 53-45-2|Estra-1,3,5(10)-trien-17-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Estra-1,3,5(10)-trien-17-one |
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| CAS Number | 53-45-2 | Molecular Weight | 254.36700 |
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| Density | 1.088g/cm3 | Boiling Point | 387ºC at 760mmHg |
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| Molecular Formula | C18H22O | Melting Point | 142-144 °C(Experimental) |
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| MSDS | / | Flash Point | 167.8ºC |
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Names
| Name | (8R,9S,13S,14S)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.088g/cm3 |
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| Boiling Point | 387ºC at 760mmHg |
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| Melting Point | 142-144 °C(Experimental) |
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| Molecular Formula | C18H22O |
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| Molecular Weight | 254.36700 |
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| Flash Point | 167.8ºC |
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| Exact Mass | 254.16700 |
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| PSA | 17.07000 |
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| LogP | 4.11180 |
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| Index of Refraction | 1.565 |
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| InChIKey | LGHBWDKMGOIZKH-CBZIJGRNSA-N |
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| SMILES | CC12CCC3c4ccccc4CCC3C1CCC2=O |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- KG7744000
- CHEMICAL NAME :
- Estra-1,3,5(10)-trien-17-one
- CAS REGISTRY NUMBER :
- 53-45-2
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C18-H22-O
- MOLECULAR WEIGHT :
- 254.40
- WISWESSER LINE NOTATION :
- L E5 B666 FVTTT&J E1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 4 mg/kg
- SEX/DURATION :
- male 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands
- REFERENCE :
- ACENA7 Acta Endocrinologica (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) V.1- 1948- Volume(issue)/page/year: 49,193,1965
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Synonyms
| Agrestin |
| Desoxyestrone |
| estra-1,3,5(10)-trien-17-one |
| 1,3,5(10)-estratrien-17-one |
| d-Estra-1,3,5(10)-trien-17-one |
| Deoxyestrone |
| 3-Deoxyestrone |
| 1,3,5(10)-Estratrien-17-one |
| 3-Deoxyoestrone |
| Estratrien-17-one |
| Estrone,3-deoxy |
| 3-Desoxyestrone |
| Adopron |
| Oestra-1,3,5(10)-trien-17-one |
