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1. Introduction of Benzyl salicylate
The Benzyl salicylate, with its CAS NO 118-58-1, is a kind of Colorless clear liquid/crystalline solid. It has synonyms of Salicylicacid, benzyl ester (6CI,7CI,8CI);Benzyl 2-hydroxybenzoate;Benzyl o-hydroxybenzoate and NSC 6647.
2. Properties of Benzyl salicylate
ACD/LogP: 4.209 ACD/LogD (pH 5.5): 4.21 ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 5.5): 929.05 ACD/BCF (pH 7.4): 779.87
ACD/KOC (pH 5.5): 4632.55 ACD/KOC (pH 7.4): 3888.69
#H bond acceptors: 3 #H bond donors: 1
#Freely Rotating Bonds: 5 Polar Surface Area: 46.53 2
Index of Refraction: 1.607 Molar Refractivity: 64.395 cm3
Molar Volume: 186.458 cm3 Polarizability: 25.528 10-24cm3
Surface Tension: 51.4119987487793 dyne/cm Density: 1.224 g/cm3
Flash Point: 146.406 °C Enthalpy of Vaporization: 58.398 kJ/mol
Boiling Point: 319.999 °C at 760 mmHg
3. Structure descriptors of Benzyl salicylate
SMILES:O=C(OCc1ccccc1)c2ccccc2O
Std. InChI:InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
Std. InChIKey:ZCTQGTTXIYCGGC-UHFFFAOYSA-N
4. Safety information of Benzyl salicylate
Moderately toxic by ingestion. See also BENZYL ALCOHOL, SALICYLIC ACID, and ESTERS. Combustible when exposed to heat or flame. When heated to decomposition it emits acrid smoke and irritating fumes. Incompatible with oxidizing materials.
Hazard Codes Xi
Risk Statements 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-36-24/25
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
WGK Germany 2
RTECS VO1750000
5. Use of Benzyl salicylate
Benzyl salicylate (CAS NO.118-58-1) is used as a solvent for "Synthetic musks & as a Fixative in Floral compositions such as Jasmine, Liliac, Lily etc."
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