Introduction:Basic information about CAS 6030-80-4|equilin benzoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | equilin benzoate |
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| CAS Number | 6030-80-4 | Molecular Weight | 372.45600 |
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| Density | 1.24g/cm3 | Boiling Point | 541ºC at 760 mmHg |
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| Molecular Formula | C25H24O3 | Melting Point | 193-196ºC(lit.) |
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| MSDS | / | Flash Point | 235.6ºC |
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Names
| Name | equilin benzoate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.24g/cm3 |
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| Boiling Point | 541ºC at 760 mmHg |
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| Melting Point | 193-196ºC(lit.) |
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| Molecular Formula | C25H24O3 |
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| Molecular Weight | 372.45600 |
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| Flash Point | 235.6ºC |
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| Exact Mass | 372.17300 |
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| PSA | 43.37000 |
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| LogP | 5.25110 |
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| Index of Refraction | 1.634 |
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| InChIKey | UIXFQXUDHNMOTI-KJWPAHLWSA-N |
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| SMILES | CC12CCC3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)C1CCC2=O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- KD7875000
- CHEMICAL NAME :
- Equilin, benzoate
- CAS REGISTRY NUMBER :
- 6030-80-4
- BEILSTEIN REFERENCE NO. :
- 3172244
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C25-H24-O3
- MOLECULAR WEIGHT :
- 372.49
- WISWESSER LINE NOTATION :
- L E5 B666 FV JUTTT&J E1 DOVR
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 96 mg/kg/48W-I
- TOXIC EFFECTS :
- Tumorigenic - neoplastic by RTECS criteria Blood - lymphoma, including Hodgkin's disease Skin and Appendages - tumors
- REFERENCE :
- ZEKBAI Zeitschrift fuer Krebsforschung. (Berlin, Fed. Rep. Ger.) V.1-75, 1903-71. For publisher information, see JCROD7. Volume(issue)/page/year: 56,482,1949
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 42 mg/kg/21W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
- REFERENCE :
- CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 122,183,1936
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 148 mg/kg/37W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Reproductive - Tumorigenic effects - uterine tumors
- REFERENCE :
- YJBMAU Yale Journal of Biology and Medicine. (333 Cedar St., New Haven, CT 06510) V.1- 1928- Volume(issue)/page/year: 12,213,1939
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Safety Information
| Hazard Codes | Xn |
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| Risk Phrases | 40 |
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| Safety Phrases | S36 |
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| WGK Germany | 3 |
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| RTECS | KD7875000 |
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Synonyms