Introduction：Basic information about CAS 496-06-0|1,4-Pentanedione,1-(3-furanyl)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,4-Pentanedione,1-(3-furanyl)- |
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| CAS Number | 496-06-0 | Molecular Weight | 166.17400 |
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| Density | 1.104g/cm3 | Boiling Point | 282ºC at 760mmHg |
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| Molecular Formula | C9H10O3 | Melting Point | / |
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| MSDS | / | Flash Point | 127ºC |
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Names
| Name | 1-(Furan-3-yl)pentane-1,4-dione |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.104g/cm3 |
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| Boiling Point | 282ºC at 760mmHg |
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| Molecular Formula | C9H10O3 |
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| Molecular Weight | 166.17400 |
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| Flash Point | 127ºC |
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| Exact Mass | 166.06300 |
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| PSA | 47.28000 |
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| LogP | 1.83150 |
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| Vapour Pressure | 0.00344mmHg at 25°C |
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| Index of Refraction | 1.477 |
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| InChIKey | VUENWDJSJYJARL-UHFFFAOYSA-N |
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| SMILES | CC(=O)CCC(=O)c1ccoc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SA1956000
- CHEMICAL NAME :
- 1,4-Pentanedione, 1-(3-furyl)-
- CAS REGISTRY NUMBER :
- 496-06-0
- BEILSTEIN REFERENCE NO. :
- 0125898
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C9-H10-O3
- MOLECULAR WEIGHT :
- 166.19
- WISWESSER LINE NOTATION :
- T5OJ CV2V1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 26 mg/kg
- TOXIC EFFECTS :
- Vascular - other changes Lungs, Thorax, or Respiration - chronic pulmonary edema Lungs, Thorax, or Respiration - pleural effusion
- REFERENCE :
- BBACAQ Biochimica et Biophysica Acta. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1947- Volume(issue)/page/year: 337,184,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 25 mg/kg
- TOXIC EFFECTS :
- Vascular - other changes Lungs, Thorax, or Respiration - chronic pulmonary edema Lungs, Thorax, or Respiration - pleural effusion
- REFERENCE :
- BBACAQ Biochimica et Biophysica Acta. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1947- Volume(issue)/page/year: 337,184,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 14 mg/kg
- TOXIC EFFECTS :
- Vascular - other changes Lungs, Thorax, or Respiration - chronic pulmonary edema Lungs, Thorax, or Respiration - pleural effusion
- REFERENCE :
- BBACAQ Biochimica et Biophysica Acta. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1947- Volume(issue)/page/year: 337,184,1974
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Safety Information
Customs
| HS Code | 2932190090 |
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| Summary | 2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0% |
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Synonyms
| 1-(furan-3-yl)pentane-1,4-dione |
