Introduction：Basic information about CAS 13361-30-3|Propan-2-ylcyanacetat, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Propan-2-ylcyanacetat |
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| CAS Number | 13361-30-3 | Molecular Weight | 127.141 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 194.5±8.0 °C at 760 mmHg |
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| Molecular Formula | C6H9NO2 | Melting Point | / |
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| MSDS | ChineseUSA | Flash Point | 78.9±5.2 °C |
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Names
| Name | Isopropyl 2-cyanoacetate |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 194.5±8.0 °C at 760 mmHg |
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| Molecular Formula | C6H9NO2 |
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| Molecular Weight | 127.141 |
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| Flash Point | 78.9±5.2 °C |
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| Exact Mass | 127.063332 |
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| PSA | 50.09000 |
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| LogP | 0.41 |
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| Vapour Pressure | 0.4±0.4 mmHg at 25°C |
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| Index of Refraction | 1.419 |
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| InChIKey | BESQLCCRQYTQQI-UHFFFAOYSA-N |
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| SMILES | CC(C)OC(=O)CC#N |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AG4270000
- CHEMICAL NAME :
- Acetic acid, cyano-, isopropyl ester
- CAS REGISTRY NUMBER :
- 13361-30-3
- BEILSTEIN REFERENCE NO. :
- 1756014
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C6-H9-N-O2
- MOLECULAR WEIGHT :
- 127.16
- WISWESSER LINE NOTATION :
- NC1VOY1&1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4960 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
- REFERENCE :
- LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland Volume(issue)/page/year: 13FEB1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland Volume(issue)/page/year: 13FEB1981
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Safety Information
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xi:Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | S23-S24/25-S36/37/39-S26 |
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| WGK Germany | 2 |
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| RTECS | AG4270000 |
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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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Articles1
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Synonyms
| Propan-2-yl cyanoacetate |
| Propan-2-ylcyanacetat |
| Acetic acid, 2-cyano-, 1-methylethyl ester |
| Cyanoacetic Acid Isopropyl Ester |
| Isopropyl cyanoacetate |
| propan-2-yl 2-cyanoacetate |
| EINECS 236-421-3 |
| MFCD00019842 |
