Pivaloylacetonitrile

Modify Date: 2024-01-02 18:05:53

Pivaloylacetonitrile structure	Common Name	Pivaloylacetonitrile
	CAS Number	59997-51-2	Molecular Weight	125.168
	Density	0.9±0.1 g/cm3	Boiling Point	236.0±0.0 °C at 760 mmHg
	Molecular Formula	C₇H₁₁NO	Melting Point	66-69 °C(lit.)
	MSDS	Chinese USA	Flash Point	59.5±19.8 °C
	Symbol	GHS06	Signal Word	Danger

Name	Pivaloylacetonitrile
Synonym	More Synonyms

Density	0.9±0.1 g/cm3
Boiling Point	236.0±0.0 °C at 760 mmHg
Melting Point	66-69 °C(lit.)
Molecular Formula	C₇H₁₁NO
Molecular Weight	125.168
Flash Point	59.5±19.8 °C
Exact Mass	125.084061
PSA	40.86000
LogP	0.55
Vapour Pressure	0.0±0.4 mmHg at 25°C
Index of Refraction	1.424

Pivaloylacetonitrile MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SA2991000

CHEMICAL NAME :: Pentanenitrile, 4,4-dimethyl-3-oxo-

CAS REGISTRY NUMBER :: 59997-51-2

LAST UPDATED :: 199712

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C7-H11-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 283 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555393

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: >1 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555393 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6799 mg/kg/13D-C

TOXIC EFFECTS :: Blood - pigmented or nucleated red blood cells Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0555393

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301
Precautionary Statements	P301 + P310
Personal Protective Equipment	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes	T:Toxic;
Risk Phrases	R25
Safety Phrases	S36/37/39-S45
RIDADR	UN 3439 6.1/PG 3
WGK Germany	3
RTECS	SA2991000
Packaging Group	III
HS Code	2926909090

Precursor 10
CAS#:598-98-1 Methyl pivalate CAS#:75-05-8 Acetonitrile CAS#:75-97-8 Pinacolone CAS#:13547-70-1 1-Chloropinacolone
CAS#:773837-37-9 sodium cyanide CAS#:5469-26-1 1-Brom-3,3-dime... CAS#:3282-30-2 Pivaloyl chloride CAS#:372-09-8 Cyanoacetic acid
CAS#:3938-95-2 Ethyl pivalate CAS#:1132-15-6 3,5-di(tert-but...
DownStream 9
CAS#:55809-36-4 3-Amino-5-tert-... CAS#:75914-61-3 3-(1,1-DIMETHYL... CAS#:136320-07-5 N-(3-tert-butyl... CAS#:192578-76-0 6-tert-butyl-2-...
CAS#:227623-29-2 5-(2-Methyl-2-p... CAS#:237435-98-2 1H-Pyrrole-2-ca... CAS#:82560-12-1 1H-Pyrazol-3-am... CAS#:285984-25-0 5-tert-Butyl-2-...
CAS#:285983-48-4 Doramapimod (BI...

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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EINECS 262-017-1

4,4-Dimethyl-3-oxo-pentanenitrile

MFCD00010208

Pentanenitrile, 4,4-dimethyl-3-oxo-

4,4-Dimethyl-3-oxopentanenitrile

Pivaloylacetonitrile

trimethylacetylacetonitrile