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Cas Database

Name	Pibecarb [INN]	EINECS	N/A
CAS No.	2522-81-8	Density	1.063g/cm³
PSA	43.37000	LogP	2.45860
Solubility	N/A	Melting Point	62.5°C
Formula	C13H16 O3	Boiling Point	306.9°Cat760mmHg
Molecular Weight	220.268	Flash Point	131.5°C
Transport Information	N/A	Appearance	N/A
Safety	Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Pivalicacid, ester with 2-hydroxyacetophenone (7CI,8CI); Pivalic acid, phenacyl ester(6CI); BCTA; Benzoylcarbinol trimethylacetate; Benzoylcarbinyltrimethylacetate; Phenacyl pivalate; Pibecarb	Article Data	15

Pibecarb [INN] Chemical Properties

Product Name: Pibecarb [INN]
CAS Registry Number: 2522-81-8
Synonyms: 4-08-00-00368 (Beilstein Handbook Reference) ; BRN 1873883 ; Benzoylcarbinol trimethylacetate ; Benzoylcarbinyl trimethylacetate ; EINECS 219-749-1 ; Phenacylpivalate ; Pibecarb ; Pibecarbe ; Pibecarbe [INN-French] ; Pibecarbo ; Pibecarbo [INN-Spanish] ; Pibecarbum ; Pibecarbum [INN-Latin] ; UNII-MOA3SO592J ; Phenacylpivalate ; Pivalic acid, ester with 2-hydroxyacetophenone ; Propanoic acid, 2,2-dimethyl-, 2-oxo-2-phenylethyl ester(9CI)
IUPAC Name: phenacyl 2,2-dimethylpropanoate
Molecular Weight: 220.26434 [g/mol]
Molecular Formula: C₁₃H₁₆O₃
XLogP3-AA: 2.9
H-Bond Donor: 0
H-Bond Acceptor: 3
Surface Tension: 37.1 dyne/cm
Density: 1.063 g/cm³
Flash Point: 131.5 °C
Enthalpy of Vaporization: 54.75 kJ/mol
Boiling Point: 306.9 °C at 760 mmHg
Vapour Pressure: 0.000749 mmHg at 25°C
Following is the molecular structure of Pibecarb [INN] (CAS NO.2522-81-8) is:

Pibecarb [INN] Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1400mg/kg (1400mg/kg)	CARDIAC: CARDIOMYOPATHY INCLUDING INFARCTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 1895, 1974.
mouse	LD50	oral	1900mg/kg (1900mg/kg)	CARDIAC: CARDIOMYOPATHY INCLUDING INFARCTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 1895, 1974.
mouse	LD50	subcutaneous	4900mg/kg (4900mg/kg)	CARDIAC: CARDIOMYOPATHY INCLUDING INFARCTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 1895, 1974.
rat	LD50	intraperitoneal	2600mg/kg (2600mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) CARDIAC: CHANGE IN RATE LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Gendai no Rinsho. Vol. 4, Pg. 1, 1970.
rat	LD50	oral	> 10gm/kg (10000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) CARDIAC: CARDIOMYOPATHY INCLUDING INFARCTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 1895, 1974.
rat	LD50	subcutaneous	> 10gm/kg (10000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) CARDIAC: CARDIOMYOPATHY INCLUDING INFARCTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Kiso to Rinsho. Clinical Report. Vol. 8, Pg. 1895, 1974

Pibecarb [INN] Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.

Pibecarb [INN] Specification

Descriptors computed from structure, you can know some information about Pibecarb [INN] (CAS NO.2522-81-8) :
Canonical SMILES: CC(C)(C)C(=O)OCC(=O)C1=CC=CC=C1
InChI: InChI=1S/C13H16O3/c1-13(2,3)12(15)16-9-11(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey: OTIZTAXUFMCICV-UHFFFAOYSA-N

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