Product Name

  • Name

    3-phenylpropyl salicylate

  • EINECS
  • CAS No. 24781-13-3
  • Density 1.167g/cm3
  • Solubility
  • Melting Point
  • Formula C16H16 O3
  • Boiling Point 389.2°C at 760 mmHg
  • Molecular Weight 256.301
  • Flash Point 160.9°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by parenteral route. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 24781-13-3 (3-phenylpropyl salicylate)
  • Hazard Symbols
  • Synonyms Salicylicacid, 3-phenylpropyl ester (8CI); 1-Propanol, 3-phenyl-, salicylate (8CI);3-Phenylpropyl salicylate
  • PSA 46.53000
  • LogP 3.18180

Salicylic acid, 3-phenylpropyl ester Chemical Properties

Molecule structure of Salicylic acid, 3-phenylpropyl ester (CAS NO.24781-13-3) :

IUPAC Name: 3-phenylpropyl 2-hydroxybenzoate 
Molecular Weight: 256.29644 g/mol
Molecular Formula: C16H16O3 
Density: 1.167 g/cm3 
Boiling Point: 389.2 °C at 760 mmHg 
Flash Point: 160.9 °C
Index of Refraction: 1.586
Molar Refractivity: 73.66 cm3
Molar Volume: 219.4 cm3
Polarizability: 29.2×10-24 cm3
Surface Tension: 48.3 dyne/cm 
Enthalpy of Vaporization: 66.35 kJ/mol
Vapour Pressure: 1.29E-06 mmHg at 25 °C
XLogP3: 5.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Tautomer Count: 4
Exact Mass: 256.109944
MonoIsotopic Mass: 256.109944
Topological Polar Surface Area: 46.5
Heavy Atom Count: 19
Complexity: 271
Canonical SMILES: C1=CC=C(C=C1)CCCOC(=O)C2=CC=CC=C2O
InChI: InChI=1S/C16H16O3/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,6,9,12H2
InChIKey: GMHNYYKDPGWAJR-UHFFFAOYSA-N
EINECS of Salicylic acid, 3-phenylpropyl ester (CAS NO.24781-13-3) : 246-458-7

Salicylic acid, 3-phenylpropyl ester Toxicity Data With Reference

1.    

par-rbt LD50:4000 mg/kg

     CHTPBA    Chimica Therapeutica. 4 (1969),453.

Salicylic acid, 3-phenylpropyl ester Consensus Reports

Reported in EPA TSCA Inventory.

Salicylic acid, 3-phenylpropyl ester Safety Profile

Moderately toxic by parenteral route. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Salicylic acid, 3-phenylpropyl ester Specification

 Salicylic acid, 3-phenylpropyl ester (CAS NO.24781-13-3) is also called 3-Phenylpropyl salicylate ; BRN 2120148 ;
Propanol, 3-phenyl-, salicylate ; S 22 ; Benzoic acid, 2-hydroxy-, 3-phenylpropyl ester .

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