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Phenethyl salicylate

  • Name Phenethyl salicylate
  • EINECS201-732-5
  • CAS No. 87-22-9
  • Density1.193 g/cm3
  • PSA46.53000
  • LogP2.79170
  • Solubility7.85mg/L at 25℃
  • Melting Point39-41 °C(lit.)
  • FormulaC15H14O3
  • Boiling Point377.9 °C at 760 mmHg
  • Molecular Weight242.274
  • Flash Point158.3 °C
  • Transport InformationN/A
  • Appearancewhite crystals
  • Safety26-36
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 87-22-9 (Phenethyl salicylate)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data2

Phenethyl salicylate Chemical Properties

Molecule structure of Phenethyl salicylate (CAS NO.87-22-9):

IUPAC Name: Phenethyl 2-hydroxybenzoate 
Molecular Weight: 242.26986 g/mol
Molecular Formula: C15H14O3 
Density: 1.193 g/cm3 
Melting Point: 39-41 °C(lit.)
Boiling Point: 377.9 °C at 760 mmHg 
Flash Point: 158.3 °C
Index of Refraction: 1.595
Molar Refractivity: 69.02 cm3
Molar Volume: 202.9 cm3
Surface Tension: 49.7 dyne/cm 
Enthalpy of Vaporization: 65.03 kJ/mol
Vapour Pressure: 2.99E-06 mmHg at 25 °C
XLogP3: 4.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Tautomer Count: 4
Exact Mass: 242.094294
MonoIsotopic Mass: 242.094294
Topological Polar Surface Area: 46.5
Heavy Atom Count: 18
Canonical SMILES: C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2O
InChI: InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKey: YNMSDIQQNIRGDP-UHFFFAOYSA-N
EINECS: 201-732-5 
Product Categories: Food additives; food flavors (flavor enhancer); natural and artificial flavors Hong equivalent

Phenethyl salicylate Uses

 Phenethyl salicylate (CAS NO.87-22-9) is mainly used for the preparation of peach, apricot and honey-based flavor.

Phenethyl salicylate Production

 Phenethyl salicylate is made by the esterification of salicylic acid and ethanol benzene .

Phenethyl salicylate Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 2
HazardClass: IRRITANT 

Phenethyl salicylate Specification

 Phenethyl salicylate (CAS NO.87-22-9) is also named as 2-Phenylethyl 2-hydroxybenzoate ; 2-Phenylethyl salicylate ; AI3-02933 ; Benzoic acid, 2-hydroxy-, 2-phenylethyl ester ; Benzylcarbinyl 2-hydroxybenzoate ; Benzylcarbinyl salicylate ;
FEMA No. 2868 ; NSC 72035 ; Phenylethyl salicyalte ; Salicylic acid, phenethyl ester ; UNII-6LDP0U8UB0 . Phenethyl salicylate (CAS NO.87-22-9) is white crystals.

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