Introduction：Basic information about CAS 591-64-0|calcium levulinate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | calcium levulinate |
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| CAS Number | 591-64-0 | Molecular Weight | 270.293 |
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| Density | / | Boiling Point | 242.9ºC at 760mmHg |
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| Molecular Formula | C10H14CaO6 | Melting Point | 123 °C |
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| MSDS | / | Flash Point | 115ºC |
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Names
| Name | Calcium Levulinate Dihydrate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Boiling Point | 242.9ºC at 760mmHg |
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| Melting Point | 123 °C |
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| Molecular Formula | C10H14CaO6 |
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| Molecular Weight | 270.293 |
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| Flash Point | 115ºC |
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| Exact Mass | 270.041626 |
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| PSA | 114.40000 |
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| InChIKey | APKDPOQXVKRLEP-UHFFFAOYSA-L |
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| SMILES | CC(=O)CCC(=O)[O-].CC(=O)CCC(=O)[O-].[Ca+2] |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SA4000000
- CHEMICAL NAME :
- Pentanoic acid, 4-oxo-, calcium salt
- CAS REGISTRY NUMBER :
- 591-64-0
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C10-H14-O6.Ca
- MOLECULAR WEIGHT :
- 270.32
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6140 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 26,144,1971
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 7250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 26,144,1971
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Safety Information
| Hazard Codes | Xi |
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| WGK Germany | 3 |
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Synonyms
| Calcium bis(4-oxopentanoate) |
| EINECS 209-725-9 |
| calcium levulinate |
| MFCD00045959 |
| Pentanoic acid, 4-oxo-, calcium salt (2:1) |
