3-Methylbutanenitrile

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

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	Signal Word	Danger

Name	Isovaleronitrile
Synonym	More Synonyms

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.)

3-Methylbutanenitrile MSDS(Chinese)

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

Symbol	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

Precursor 9
CAS#:503-74-2 3-Methylbutanoi... CAS#:78-77-3 1-Bromo-2-methy... CAS#:151-50-8 POTASSIUM CYANIDE CAS#:541-46-8 Isovaleramide
CAS#:107-85-7 3-Methyl-1-buty... CAS#:626-90-4 Butanal, 3-meth... CAS#:328-39-2 2-Amino-4-methy... CAS#:1119-29-5 Pentanamide, 4-...
CAS#:52435-41-3 N-(2,6-dimethyl...
DownStream 10
CAS#:106192-01-2 5-(2-methylprop... CAS#:107-85-7 3-Methyl-1-buty... CAS#:544-00-3 diisoamylamine CAS#:34036-16-3 Ethyl 5-methyl-...
CAS#:503-74-2 3-Methylbutanoi... CAS#:541-46-8 Isovaleramide CAS#:61-90-5 L-leucine CAS#:26104-01-8 3-methyl-1-[2,4...
CAS#:52-53-9 Verapamil CAS#:556-24-1 Methyl isovalerate

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%

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...

3-Methylbutanenitrile

EINECS 210-884-1

MFCD00001944

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 3-Methylbutanenitrile
Price: Click To Check
Purity: 98.0%
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 3-Methylbutanenitrile
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Purity: 98.0%
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Henan Tianfu Chemical Co., Ltd.
China
Product Name: 3-Methylbutanenitrile
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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3-Methylbutanenitrile

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