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Cas Database

Name	Benzyl salicylate	EINECS	204-262-9
CAS No.	118-58-1	Density	1.224 g/cm³
PSA	46.53000	LogP	2.74920
Solubility	Slightly soluble in water	Melting Point	18-20 °C
Formula	C₁₄H₁₂O₃	Boiling Point	300 °C
Molecular Weight	228.247	Flash Point	137 °C
Transport Information	N/A	Appearance	almost colorless liquid
Safety	26-36-24/25	Risk Codes	36/37/38
Molecular Structure		Hazard Symbols	Xi
Synonyms	Salicylicacid, benzyl ester (6CI,7CI,8CI);Benzyl 2-hydroxybenzoate;Benzyl o-hydroxybenzoate;NSC 6647;	Article Data	50

Benzyl salicylate Synthetic route

: 100-51-6
benzyl alcohol

: 119-36-8
methyl salicylate

: 118-58-1
benzyl salicylate

Conditions

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%

: 54-21-7
sodium salicylate

: 100-44-7
benzyl chloride

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
With potassium fluoride at 150℃; for 2h; Reagent/catalyst; Temperature;	96.36%
With ethanol; copper
With diethylamine at 130 - 140℃;

: 100-44-7
benzyl chloride

: 36340-89-3
N,N-diisopropylethylamine hydrochloride

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine	95.5%

: 100-39-0
benzyl bromide

: 69-72-7
salicylic acid

: 118-58-1
benzyl salicylate

Conditions

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%

: 87-20-7
isoamyl salicylate

: 100-51-6
benzyl alcohol

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
With K5 In toluene at 85℃; for 8h;	95%

: 14389-87-8
benzyl 2-(benzyloxy)benzoate

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
With methyl-phenyl-thioether; trifluoroacetic acid In toluene at 20℃; for 0.0833333h;	93%

: 7285-83-8
2,4,6-tris(benzyloxy)-1,3,5-triazine

: 69-72-7
salicylic acid

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
In 1,2-dichloro-benzene at 180℃; for 4h; chemoselective reaction;	93%

: 108-88-3
toluene

: 69-72-7
salicylic acid

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
With di-tert-butyl peroxide; C11H23N2(1+)*Br4Fe(1-) at 110℃; for 24h;	87%

: 100-51-6
benzyl alcohol

: 118-61-6
2-hydroxy-benzoic acid ethyl ester

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
With di(n-butyl)tin oxide In methanol for 5h; Heating;	86%

: 69-72-7
salicylic acid

: 100-51-6
benzyl alcohol

: 118-58-1
benzyl salicylate

Conditions

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;

Benzyl salicylate Consensus Reports

Reported in EPA TSCA Inventory.

Benzyl salicylate 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: Irritant
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

orl-rat LD50:2227 mg/kg

FCTXAV Food and Cosmetics Toxicology. 11 (1973),1029.

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