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Dayang Chem (Hangzhou) Co., Ltd.
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Henan Tianfu Chemical Co., Ltd.
China
Product Name: 3-Methylbutanenitrile
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625-28-5

625-28-5 structure

625-28-5 structure

Name: 3-Methylbutanenitrile
Chemical Name: Isovaleronitrile
CAS Number: 625-28-5
Molecular Formula: C₅H₉N
Molecular Weight: 83.13170
Create Date: 2018-09-07 00:35:32
Modify Date: 2026-07-23 18:17:41

Name	Isovaleronitrile
Synonyms	Isopentane nitrile ISOVALERONITRILE 3-Methylbutyronitrile 3-methyl-butyronitrile Butyronitrile, 2-methyl ISOBUTYL CYANIDE 2-methylbutanesecondymononitrile 3-methyl-butyronitril ISOAMYL NITRILE MFCD00001944 Isovaleronitrile/ 3-Methylbutyronitrile Butyronitrile, 3-methyl Isopenmnenitrile 3-methyl-butanenitril EINECS 210-884-1 2-Methylbutane secondy mononitrile isopentanenitrile Isovaleronitrile> 3-methylbutanenitrile Butanenitrile,3-methyl iso-C4H9CN

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.)

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
503-74-2 78-77-3 151-50-8 541-46-8
107-85-7 626-90-4 328-39-2 1119-29-5
52435-41-3
DownStream 10
106192-01-2 107-85-7 544-00-3 34036-16-3
503-74-2 541-46-8 61-90-5 26104-01-8
52-53-9 556-24-1

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%

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