Product Name

  • Name

    pibecarb

  • EINECS
  • CAS No. 2522-81-8
  • Article Data15
  • CAS DataBase
  • Density 1.063g/cm3
  • Solubility
  • Melting Point 62.5°C
  • Formula C13H16 O3
  • Boiling Point 306.9°Cat760mmHg
  • Molecular Weight 220.268
  • Flash Point 131.5°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 2522-81-8 (pibecarb)
  • Hazard Symbols
  • Synonyms Pivalicacid, ester with 2-hydroxyacetophenone (7CI,8CI); Pivalic acid, phenacyl ester(6CI); BCTA; Benzoylcarbinol trimethylacetate; Benzoylcarbinyltrimethylacetate; Phenacyl pivalate; Pibecarb
  • PSA 43.37000
  • LogP 2.45860

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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