Introduction：Basic information about CAS 14631-45-9|3-ethoxypropanenitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-ethoxypropanenitrile |
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| CAS Number | 14631-45-9 | Molecular Weight | 99.13110 |
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| Density | 0.891 | Boiling Point | 171ºC |
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| Molecular Formula | C5H9NO | Melting Point | / |
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| MSDS | / | Flash Point | 64ºC |
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Names
| Name | 3-ethoxypropanenitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.891 |
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| Boiling Point | 171ºC |
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| Molecular Formula | C5H9NO |
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| Molecular Weight | 99.13110 |
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| Flash Point | 64ºC |
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| Exact Mass | 99.06840 |
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| PSA | 33.02000 |
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| LogP | 0.93498 |
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| Vapour Pressure | 0.219mmHg at 25°C |
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| Index of Refraction | 1.414 |
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| InChIKey | SNJNVEVAILOJBB-UHFFFAOYSA-N |
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| SMILES | CCOC(C)C#N |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UG1800000
- CHEMICAL NAME :
- Propionitrile, 2-ethoxy-
- CAS REGISTRY NUMBER :
- 14631-45-9
- BEILSTEIN REFERENCE NO. :
- 1720500
- LAST UPDATED :
- 199707
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C5-H9-N-O
- MOLECULAR WEIGHT :
- 99.15
- WISWESSER LINE NOTATION :
- NC2O2
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2860 mg/kg
- TOXIC EFFECTS :
- Behavioral - excitement Nutritional and Gross Metabolic - other changes
- REFERENCE :
- TNICS* Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. (USSR Academy of Medical Sciences, Meditsina, Moscow, USSR) Volume(issue)/page/year: 13,125,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2200 mg/kg
- TOXIC EFFECTS :
- Behavioral - excitement Nutritional and Gross Metabolic - other changes
- REFERENCE :
- TNICS* Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. (USSR Academy of Medical Sciences, Meditsina, Moscow, USSR) Volume(issue)/page/year: 13,125,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 2865 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 39(4),86,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TCLo - Lowest published toxic concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 940 mg/m3/17W-I
- TOXIC EFFECTS :
- Brain and Coverings - recordings from specific areas of CNS Kidney, Ureter, Bladder - urine volume increased Kidney, Ureter, Bladder - other changes in urine composition
- REFERENCE :
- TNICS* Toxicology of New Industrial Chemical Substances. English translation of TPKVAL. (USSR Academy of Medical Sciences, Meditsina, Moscow, USSR) Volume(issue)/page/year: 13,125,1978 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 50 mg/m3 JAN 1993
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Safety Information
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
| 3-ethoxy-propionitrile |
| 3-Ethoxypropiononitrile |
| Aethylaethermilchsaeure-nitril |
| Propionitrile,3-ethoxy |
| O-Aethyl-milchsaeure-nitril |
| 2-ethoxy-propionitrile |
| 1-Cyanoethyl ethyl ether |
| 2-Aethoxy-propionitril |
| Propionitrile,2-ethoxy |
| 2-ethoxy-propanenitrile |
| Propanenitrile,3-ethoxy |
