Introduction：Basic information about CAS 59997-51-2|Pivaloylacetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Pivaloylacetonitrile |
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| CAS Number | 59997-51-2 | Molecular Weight | 125.168 |
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| Density | 0.9±0.1 g/cm3 | Boiling Point | 236.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C7H11NO | Melting Point | 66-69 °C(lit.) |
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| MSDS | ChineseUSA | Flash Point | 59.5±19.8 °C |
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| Symbol |
GHS06 | Signal Word | Danger |
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Names
| Name | Pivaloylacetonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
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| Boiling Point | 236.0±0.0 °C at 760 mmHg |
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| Melting Point | 66-69 °C(lit.) |
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| Molecular Formula | C7H11NO |
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| Molecular Weight | 125.168 |
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| Flash Point | 59.5±19.8 °C |
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| Exact Mass | 125.084061 |
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| PSA | 40.86000 |
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| LogP | 0.55 |
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| Vapour Pressure | 0.0±0.4 mmHg at 25°C |
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| Index of Refraction | 1.424 |
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| InChIKey | MXZMACXOMZKYHJ-UHFFFAOYSA-N |
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| SMILES | CC(C)(C)C(=O)CC#N |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- SA2991000
- CHEMICAL NAME :
- Pentanenitrile, 4,4-dimethyl-3-oxo-
- CAS REGISTRY NUMBER :
- 59997-51-2
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C7-H11-N-O
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 283 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555393
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555393 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6799 mg/kg/13D-C
- TOXIC EFFECTS :
- Blood - pigmented or nucleated red blood cells Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555393
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Safety Information
| Symbol |
GHS06 |
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| Signal Word | Danger |
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| Hazard Statements | H301 |
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| Precautionary Statements | P301 + P310 |
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| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
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| Hazard Codes | T:Toxic; |
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| Risk Phrases | R25 |
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| Safety Phrases | S36/37/39-S45 |
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| RIDADR | UN 3439 6.1/PG 3 |
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| WGK Germany | 3 |
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| RTECS | SA2991000 |
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| Packaging Group | III |
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| HS Code | 2926909090 |
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Customs
| HS Code | 2926909090 |
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| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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Synonyms
| EINECS 262-017-1 |
| 4,4-Dimethyl-3-oxo-pentanenitrile |
| MFCD00010208 |
| Pentanenitrile, 4,4-dimethyl-3-oxo- |
| 4,4-Dimethyl-3-oxopentanenitrile |
| Pivaloylacetonitrile |
| trimethylacetylacetonitrile |
