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| CAS No.: | 118-58-1 |
|---|---|
| Name: | Benzyl salicylate |
| Molecular Structure: | |
|
|
|
| Formula: | C14H12O3 |
| Molecular Weight: | 228.247 |
| Synonyms: | Salicylicacid, benzyl ester (6CI,7CI,8CI);Benzyl 2-hydroxybenzoate;Benzyl o-hydroxybenzoate;NSC 6647; |
| EINECS: | 204-262-9 |
| Density: | 1.224 g/cm3 |
| Melting Point: | 18-20 °C |
| Boiling Point: | 300 °C |
| Flash Point: | 137 °C |
| Solubility: | Slightly soluble in water |
| Appearance: | almost colorless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-24/25 |
| PSA: | 46.53000 |
| LogP: | 2.74920 |
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| Conditions | Yield |
|---|---|
| With C16H25N3O2S In n-heptane for 48h; Reflux; Molecular sieve; Inert atmosphere; | 98% |
| With tetrabutylammonium acetate; oxiranyl-methanol In hexane for 24h; Reflux; | 97% |
| With tetramethylammonium methyl carbonate In hexane for 2h; Reagent/catalyst; Time; Molecular sieve; Reflux; Green chemistry; | 92% |
| Conditions | Yield |
|---|---|
| With potassium fluoride at 150℃; for 2h; Reagent/catalyst; Temperature; | 96.36% |
| With ethanol; copper | |
| With diethylamine at 130 - 140℃; |
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine | 95.5% |
| Conditions | Yield |
|---|---|
| With potassium hydrogencarbonate In N,N-dimethyl-formamide at 40℃; | 95% |
| Stage #1: salicylic acid With sodium hydrogencarbonate In N,N-dimethyl-formamide at 70℃; for 0.166667h; Stage #2: benzyl bromide In N,N-dimethyl-formamide for 4h; | 94% |
| With sodium hydrogencarbonate; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 40℃; for 0.666667h; | 88% |
| Conditions | Yield |
|---|---|
| With K5 In toluene at 85℃; for 8h; | 95% |
- 14389-87-8
benzyl 2-(benzyloxy)benzoate
- 118-58-1
benzyl salicylate
| Conditions | Yield |
|---|---|
| With methyl-phenyl-thioether; trifluoroacetic acid In toluene at 20℃; for 0.0833333h; | 93% |
| Conditions | Yield |
|---|---|
| In 1,2-dichloro-benzene at 180℃; for 4h; chemoselective reaction; | 93% |
| Conditions | Yield |
|---|---|
| With di-tert-butyl peroxide; C11H23N2(1+)*Br4Fe(1-) at 110℃; for 24h; | 87% |
| Conditions | Yield |
|---|---|
| With di(n-butyl)tin oxide In methanol for 5h; Heating; | 86% |
| Conditions | Yield |
|---|---|
| With nnano-SiO2-supported Preyssler heteropolyacid In dichloroethane at 80℃; for 0.05h; Microwave irradiation; | 74% |
| With aluminium trichloride; sodium iodide In acetonitrile for 1.5h; Heating; | 64% |
| With 1,1'-carbonyldiimidazole In acetonitrile at 65℃; for 3h; | 64% |
| With 8-aminopyrene-1,3,6-trisulfonic acid, trisodium salt for 15h; Heating; | |
| With ionic liquid based on Keggin (H3PW12O40) heteroployacid for 0.0333333h; Catalytic behavior; Concentration; Microwave irradiation; Green chemistry; |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
1.Introduction of Benzyl salicylate
Benzyl salicylate, with its CAS NO 118-58-1, is a kind of Colorless clear liquid. It has synonyms of 2-Hydroxybenzoic acid phenylmethyl ester ; Benzyl o-hydroxybenzoate and salicylic acid benzyl ester . Benzyl salicylate should be stored in shady and cool warehouse and mainly used in cosmetics and flavors.
2.Properties of Benzyl salicylate
(1) Boiling point: 320 °C at 760 mmHg (2) Flash Point: 146.4 °C (3) Density: 1.224 g/cm3
(4) Refractive index: n20/D 1.581(lit.) (5) Water Solubility: Slightly soluble (6) Index of Refraction: 1.607
(7) Molar Refractivity: 64.39 cm3 (8) Molar Volume: 186.4 cm3 (9) Surface Tension: 51.4 dyne/cm
(10) Enthalpy of Vaporization: 58.4 kJ/mol (11) Vapour Pressure: 0.000175 mmHg at 25°C (12) XLogP3-AA: 3.2
(13) H-Bond Donor: 1 (14) H-Bond Acceptor: 3
3.Structure descriptors of Benzyl salicylate
IUPAC Name: benzyl 2-hydroxybenzoate
Canonical SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
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
InChIKey: ZCTQGTTXIYCGGC-UHFFFAOYSA-N
4.Safety information of Benzyl salicylate
Hazard Codes: 
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.Toxity data of Benzyl salicylate
| 1. | orl-rat LD50:2227 mg/kg | FCTXAV Food and Cosmetics Toxicology. 11 (1973),1029. |