Introduction:Basic information about CAS 90-42-6|[1,1'-Bicyclohexyl]-2-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | [1,1'-Bicyclohexyl]-2-one |
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| CAS Number | 90-42-6 | Molecular Weight | 180.28700 |
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| Density | 0,97 g/cm3 | Boiling Point | 269 °C |
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| Molecular Formula | C12H20O | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 121°C |
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Names
| Name | 2-Cyclohexylcyclohexanone |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0,97 g/cm3 |
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| Boiling Point | 269 °C |
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| Molecular Formula | C12H20O |
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| Molecular Weight | 180.28700 |
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| Flash Point | 121°C |
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| Exact Mass | 180.15100 |
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| PSA | 17.07000 |
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| LogP | 3.32600 |
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| Index of Refraction | 1.496 |
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| InChIKey | UOBQDYFTAJKQAL-UHFFFAOYSA-N |
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| SMILES | O=C1CCCCC1C1CCCCC1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DT7400000
- CHEMICAL NAME :
- (1,1'-Bicyclohexyl)-2-one
- CAS REGISTRY NUMBER :
- 90-42-6
- BEILSTEIN REFERENCE NO. :
- 1865785
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C12-H20-O
- MOLECULAR WEIGHT :
- 180.32
- WISWESSER LINE NOTATION :
- L6VTJ B- AL6TJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,20,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >7800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,20,1974
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Safety Information
| Safety Phrases | S22-S24/25 |
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| RTECS | DT7400000 |
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Synonyms
| EINECS 201-991-4 |
| 2-cyclohexylcyclohexan-1-one |
| MFCD00013795 |