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Basic Information
CAS No.: 2522-81-8
Name: pibecarb
Molecular Structure:
Molecular Structure of 2522-81-8 (pibecarb)
Formula: C13H16 O3
Molecular Weight: 220.268
Synonyms: Pivalicacid, ester with 2-hydroxyacetophenone (7CI,8CI); Pivalic acid, phenacyl ester(6CI); BCTA; Benzoylcarbinol trimethylacetate; Benzoylcarbinyltrimethylacetate; Phenacyl pivalate; Pibecarb
Density: 1.063g/cm3
Melting Point: 62.5°C
Boiling Point: 306.9°Cat760mmHg
Flash Point: 131.5°C
Safety: Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 43.37000
LogP: 2.45860
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Chemistry

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:

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

Safety Profile

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

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