Introduction：Basic information about CAS 625-28-5|3-Methylbutanenitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Methylbutanenitrile |
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| CAS Number | 625-28-5 | Molecular Weight | 83.13170 |
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| Density | 0.795 g/mL at 25 °C(lit.) | Boiling Point | 128-130 °C730 mm Hg(lit.) |
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| Molecular Formula | C5H9N | Melting Point | -101ºC |
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| MSDS | ChineseUSA | Flash Point | 83 °F |
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| Symbol |
GHS02, GHS06 | Signal Word | Danger |
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Names
| Name | Isovaleronitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 0.795 g/mL at 25 °C(lit.) |
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| Boiling Point | 128-130 °C730 mm Hg(lit.) |
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| Melting Point | -101ºC |
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| Molecular Formula | C5H9N |
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| Molecular Weight | 83.13170 |
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| Flash Point | 83 °F |
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| Exact Mass | 83.07350 |
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| PSA | 23.79000 |
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| LogP | 1.55608 |
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| Index of Refraction | n20/D 1.393(lit.) |
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| InChIKey | QHDRKFYEGYYIIK-UHFFFAOYSA-N |
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| SMILES | CC(C)CC#N |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NY1750000
- CHEMICAL NAME :
- Isovaleronitrile
- CAS REGISTRY NUMBER :
- 625-28-5
- BEILSTEIN REFERENCE NO. :
- 1734239
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C5-H9-N
- MOLECULAR WEIGHT :
- 83.15
- WISWESSER LINE NOTATION :
- NC1Y1&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 :
- 233 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NEZAAQ Nippon Eiseigaku Zasshi. Japanese Journal of Hygiene. (Nippon Eisei Gakkai, c/o Kyoto Daigaku Igakubu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.1- 1946- Volume(issue)/page/year: 39,423,1984
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 400 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,690,1955
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 43400 ug/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 5,161,1899
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Amphibian - frog
- DOSE/DURATION :
- 3800 mg/kg
- TOXIC EFFECTS :
- Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Cardiac - other changes Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 5,161,1899
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Safety Information
| Symbol |
GHS02, GHS06 |
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| Signal Word | Danger |
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| Hazard Statements | H226-H301-H315-H319-H335 |
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| Precautionary Statements | P261-P301 + P310-P305 + P351 + P338 |
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| Personal Protective Equipment | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
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| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R10;R22;R36/37/38 |
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| Safety Phrases | S26-S36 |
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| RIDADR | UN 1992 3/PG 3 |
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| WGK Germany | 3 |
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| RTECS | NY1750000 |
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| Packaging Group | III |
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| Hazard Class | 3.2 |
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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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Articles2
More Articles
| A novel nitrilase, arylacetonitrilase, of Alcaligenes faecalis JM3. Purification and characterization. Eur. J. Biochem. 194 , 765, (1990) A new type of nitrilase, arylacetonitrilase, has been purified from isovaleronitrile-induced cells of Alcaligenes faecalis JM3 in four steps. The purity of the enzyme was confirmed by SDS/polyacrylami... | |
| Mechanistic and structural studies on Rhodococcus ATCC 39484 nitrilase. Biotechnol. Appl. Biochem. 15(3) , 283-302, (1992) Rhodococcus ATCC 39484 produced a nitrilase when induced with isovaleronitrile. The enzyme was obtainable pure in milligram amounts, had a subunit Mr of 40 kDa, and demonstrated a substrate-induced ac... | |
Synonyms
| 3-Methylbutanenitrile |
| EINECS 210-884-1 |
| MFCD00001944 |
