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| CAS No.: | 87-22-9 |
|---|---|
| Name: | Phenethyl salicylate |
| Molecular Structure: | |
|
|
|
| Formula: | C15H14O3 |
| Molecular Weight: | 242.274 |
| Synonyms: | Salicylicacid, phenethyl ester (7CI,8CI);2-Phenylethyl salicylate;Benzylcarbinylsalicylate;NSC 72035;Benzoic acid,2-hydroxy-, 2-phenylethyl ester; |
| EINECS: | 201-732-5 |
| Density: | 1.193 g/cm3 |
| Melting Point: | 39-41 °C(lit.) |
| Boiling Point: | 377.9 °C at 760 mmHg |
| Flash Point: | 158.3 °C |
| Solubility: | 7.85mg/L at 25℃ |
| Appearance: | white crystals |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.53000 |
| LogP: | 2.79170 |
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Chemistry
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
Uses
Phenethyl salicylate (CAS NO.87-22-9) is mainly used for the preparation of peach, apricot and honey-based flavor.
Production
Phenethyl salicylate is made by the esterification of salicylic acid and ethanol benzene .
Safety Profile
Hazard Codes: 
Xi
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
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.