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59997-51-2

59997-51-2 structure

59997-51-2 structure

Name: Pivaloylacetonitrile
Chemical Name: Pivaloylacetonitrile
CAS Number: 59997-51-2
Molecular Formula: C₇H₁₁NO
Molecular Weight: 125.168
Catalog: Chemical reagent Organic reagent Cyanide/nitrile
Create Date: 2018-03-19 08:00:00
Modify Date: 2026-07-03 17:31:17

Name	Pivaloylacetonitrile
Synonyms	Pentanenitrile, 4,4-dimethyl-3-oxo PIVALOYLACETONITRILE CYANOPINACOLONE 4,4-DIMETHYL-3-OXOPENTANENITRILE(PIVALOYLACETONITRILE) TRIMETHYLACETYLACETONITRILE 4,4,-Dimethyl-3-Ox-Valeronitrile(Pivaloylacetonitrile) 3-Oxo-4,4-dimethylpentanenitrile Pivaloylacetonitrile, 1-Cyano-3,3-dimethylbutan-2-one, 4,4-Dimethyl-3-oxovaleronitrile 4,4-dimethyl-3-oxovaleronitrile TIMTEC-BB SBB008437 Valeronitrile, 4,4-dimethyl-3-oxo 2-Diethylamino-5-Amino-6-Me pyridine 4,4-DIMETHYL-3-OXO-N-VALERONITRILE 1-CYANO-3,3-DIMETHYL-2-BUTANONE Pivaloylacetonitrile ISO 9001：2015 REACH 4,4-Dimethyl-3-oxopentanenitrile Pivaloylacetonitrile, 1-Cyano-3,3-dimethylbutan-2-one PIVALOYLACETONITRILE (4,4-DIMETHYL-3-OXOPENTANENITRILE) (1-CYANOPINACOLONE) 4,4-Dimethyl-3-Oxopentanetrile 4,4-Dimethyl-3-oxovaleronitril 4,4-DIMETHYL-3-OXOVALERONITRILE(PIVALOYLACETONITRILE) EINECS 262-017-1 Pivaloyl Acetonitrile min Pivaloylacetonitrile> Pivaloylnitrile 4,4-Dimethyl-3-oxo-pentanenitrile MFCD00010208 Pivaloylacetonitrile, R 4,4-DIMETHYL-3-OXOPENTANENITRILE Cyanopinacone/Neovalerylacetonitrile Pyvaolylacetonitrile 4,4-Dimethyl-3-oxopentanenitrile 4,4-Dimethyl-3-oxovaleronitrile 4,4-diMethyl-3-O E nitrile 1-Cyanopinacolone 4,4-dimethyl-3-oxo-pentanenitril trimethylacetylacetonitrile

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

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
598-98-1 75-05-8 75-97-8 13547-70-1
773837-37-9 5469-26-1 3282-30-2 372-09-8
3938-95-2 1132-15-6
DownStream 9
55809-36-4 75914-61-3 136320-07-5 192578-76-0
227623-29-2 237435-98-2 82560-12-1 285984-25-0
285983-48-4

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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