3-Methyl-3-butenenitrile

Modify Date: 2024-01-10 20:53:50

3-Methyl-3-butenenitrile Structure
3-Methyl-3-butenenitrile structure
Common Name 3-Methyl-3-butenenitrile
CAS Number 4786-19-0 Molecular Weight 81.116
Density 0.8±0.1 g/cm3 Boiling Point 126.0±9.0 °C at 760 mmHg
Molecular Formula C5H7N Melting Point N/A
MSDS N/A Flash Point 37.3±3.8 °C

 Names

Name 3-methylbut-3-enenitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.8±0.1 g/cm3
Boiling Point 126.0±9.0 °C at 760 mmHg
Molecular Formula C5H7N
Molecular Weight 81.116
Flash Point 37.3±3.8 °C
Exact Mass 81.057846
PSA 23.79000
LogP 0.95
Vapour Pressure 11.9±0.2 mmHg at 25°C
Index of Refraction 1.412

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM8400000
CHEMICAL NAME :
3-Butenenitrile, 3-methyl-
CAS REGISTRY NUMBER :
4786-19-0
BEILSTEIN REFERENCE NO. :
0506092
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C5-H7-N
MOLECULAR WEIGHT :
81.13
WISWESSER LINE NOTATION :
NC1Y1&U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,901,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,901,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
540 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1000 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2830 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962

 Synthetic Route

 Synonyms

3-Methylbut-3-enenitrile
3-Methyl-but-3-ennitril
3-Butenenitrile, 3-methyl-
3-methyl-but-3-enenitrile
3-Methyl-3-butenonitrile
3-Methyl-3-butenenitrile
methallyl cyanide
3-Butenenitrile,3-methyl