4-methylpentanenitrile
Suppliers
Names
[ CAS No. ]:
542-54-1
[ Name ]:
4-methylpentanenitrile
[Synonym ]:
isobutyl acetonitrile
Pentanenitrile,4-methyl
Isoamyl cyanide
Isocapronitrile
4-methylpentanenitile
4-methylvaleronitrile
4-methylpentanitrile
Isoamylkyanid [Czech]
Isopentyl cyanide
EINECS 208-817-6
Valeronitrile,4-methyl
Pentanenitrile,4-methyl-
Chemical & Physical Properties
[ Density]:
0.8009 g/cm3 (20 ºC)
[ Boiling Point ]:
156.5 ºC
[ Melting Point ]:
-51 ºC
[ Molecular Formula ]:
C6H11N
[ Molecular Weight ]:
97.15820
[ Flash Point ]:
45.6±0.0 ºC
[ Exact Mass ]:
97.08910
[ PSA ]:
23.79000
[ LogP ]:
1.94618
[ Index of Refraction ]:
1.4048 (589.3 nm 22 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- YV8588000
- CHEMICAL NAME :
- Valeronitrile, 4-methyl-
- CAS REGISTRY NUMBER :
- 542-54-1
- BEILSTEIN REFERENCE NO. :
- 1698246
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C6-H11-N
- MOLECULAR WEIGHT :
- 97.18
- WISWESSER LINE NOTATION :
- NC2Y1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 488 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 :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 89 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Lungs, Thorax, or Respiration - dyspnea
- 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 :
- 1600 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
Safety Information
[ Risk Phrases ]:
10-23/24/25
[ Safety Phrases ]:
16-26-36/37/39
[ RIDADR ]:
1992
[ RTECS ]:
YV8588000
[ Packaging Group ]:
III
[ Hazard Class ]:
3.2
[ HS Code ]:
2926909090
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2926909090
[ 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%