3-Methylbutanenitrile

Modify Date: 2024-01-07 19:19:24

3-Methylbutanenitrile Structure
3-Methylbutanenitrile structure
Common Name 3-Methylbutanenitrile
CAS Number 625-28-5 Molecular Weight 83.13170
Density 0.795 g/mL at 25 °C(lit.) Boiling Point 128-130 °C730 mm Hg(lit.)
Molecular Formula C5H9N Melting Point -101ºC
MSDS Chinese USA Flash Point 83 °F
Symbol GHS02 GHS06
GHS02, GHS06
Signal Word Danger

 Names

Name Isovaleronitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.795 g/mL at 25 °C(lit.)
Boiling Point 128-130 °C730 mm Hg(lit.)
Melting Point -101ºC
Molecular Formula C5H9N
Molecular Weight 83.13170
Flash Point 83 °F
Exact Mass 83.07350
PSA 23.79000
LogP 1.55608
Index of Refraction n20/D 1.393(lit.)

 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 DATA

ACUTE 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

 Safety Information

Symbol GHS02 GHS06
GHS02, GHS06
Signal Word Danger
Hazard Statements H226-H301-H315-H319-H335
Precautionary Statements P261-P301 + P310-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;
Risk Phrases R10;R22;R36/37/38
Safety Phrases S26-S36
RIDADR UN 1992 3/PG 3
WGK Germany 3
RTECS NY1750000
Packaging Group III
Hazard Class 3.2
HS Code 2926909090

 Synthetic Route

 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%

 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
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