Product Name

  • Name

    P-TOLYL BENZOATE

  • EINECS
  • CAS No. 614-34-6
  • Article Data114
  • CAS DataBase
  • Density 1.122g/cm3
  • Solubility
  • Melting Point 70-72 °C(lit.)
  • Formula C14H12 O2
  • Boiling Point 316.6°C at 760 mmHg
  • Molecular Weight 212.248
  • Flash Point 130.1°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 614-34-6 (P-TOLYL BENZOATE)
  • Hazard Symbols
  • Synonyms Benzoicacid, p-tolyl ester (6CI,7CI,8CI); 4-Cresyl benzoate; 4-Methylphenyl benzoate;NSC 137593; NSC 8788; p-Cresol benzoate; p-Cresyl benzoate; p-Methylphenylbenzoate; p-Tolyl benzoate
  • PSA 26.30000
  • LogP 3.21420

p-Tolyl benzoate Chemical Properties

Molecule structure of p-Tolyl benzoate (CAS NO.614-34-6):

IUPAC Name: (4-Methylphenyl) benzoate 
Molecular Weight: 212.24388 g/mol
Molecular Formula: C14H12O2
Density: 1.122 g/cm3  
Melting Point: 70-72 °C(lit.)
Boiling Point: 316.6 °C at 760 mmHg 
Flash Point: 130.1 °C
Index of Refraction: 1.577
Molar Refractivity: 62.72 cm3
Molar Volume: 189.1 cm3
Polarizability: 24.86×10-24 cm3
Surface Tension: 42.3 dyne/cm 
Enthalpy of Vaporization: 55.79 kJ/mol
Vapour Pressure: 0.000407 mmHg at 25 °C
XLogP3: 4
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 212.08373
MonoIsotopic Mass: 212.08373
Topological Polar Surface Area: 26.3
Heavy Atom Count: 16
Complexity: 223
Canonical SMILES: CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C14H12O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey: LLRZUDIHEZXFGV-UHFFFAOYSA-N
EINECS of p-Tolyl benzoate (CAS NO.614-34-6): 210-380-1

p-Tolyl benzoate Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

     FCTOD7    Food and Chemical Toxicology. 21 (1983),833.
2.    

orl-rat LD50:2644 mg/kg

     FAVUAI    Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. 18 (1986),69.

p-Tolyl benzoate Consensus Reports

Reported in EPA TSCA Inventory.

p-Tolyl benzoate Safety Profile

WGK Germany: 2
RTECS: DH7050000
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

p-Tolyl benzoate Specification

 p-Tolyl benzoate (CAS NO.614-34-6) is also named as 4-09-00-00306 (Beilstein Handbook Reference) ; 4-Cresyl benzoate ; 4-Methylphenyl benzoate ; AI3-01805 ; BRN 1873141 ; Benzoic acid, 4-methylphenyl ester ; Benzoic acid, p-tolyl ester ; NSC 137593 ; NSC 8788 ; p-Cresol benzoate ; p-Cresyl benzoate ; Benzoic acid, 4-methylphenyl ester ; Benzoic acid, p-tolyl ester .

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