Benzyl salicylate supplier

Name
Benzyl salicylate
EINECS 204-262-9
CAS No. 118-58-1
Article Data50
CAS DataBase
Density 1.224 g/cm³
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
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;
PSA 46.53000
LogP 2.74920

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;

: 100-44-7
benzyl chloride

: 69-72-7
salicylic acid

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
With triethylamine at 90℃; for 2h;	65%

: 50-78-2
aspirin

: 100-51-6
benzyl alcohol

A: 140-11-4
Benzyl acetate

B: 118-58-1
benzyl salicylate

C: benzyl 2-((2-hydroxybenzoyl)oxy)benzoate

Conditions

Conditions	Yield
With 1,1'-carbonyldiimidazole In dichloromethane at 25℃; for 12h; Solvent; Inert atmosphere;	A 15% B 55% C 7%

...Expand

: 50-78-2
aspirin

: 100-51-6
benzyl alcohol

A: 140-11-4
Benzyl acetate

B: 118-58-1
benzyl salicylate

C: 52602-17-2
2-acetoxybenzoic acid benzyl ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 25℃; for 19h; Inert atmosphere;	A 40% B 8% C 41%

...Expand

: 14389-86-7
2-benzyloxybenzoic acid

A: 118-58-1
benzyl salicylate

B: 5-benzyl-2-hydroxy-benzoic acid benzyl ester

C: 69-72-7
salicylic acid

D: 108-95-2
phenol

Conditions

Conditions	Yield
at 190℃;

...Expand

: 64-17-5
ethanol

: 54-21-7
sodium salicylate

: 100-44-7
benzyl chloride

: 118-58-1
benzyl salicylate

...Expand

: 578-36-9
potassium salicylate

: 100-44-7
benzyl chloride

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
at 130 - 140℃;

: 857212-28-3
C8H8O5S

: 100-51-6
benzyl alcohol

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
In chloroform; benzene for 1.5h; Heating; Yield given;

: C14H12O5S

: 100-51-6
benzyl alcohol

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
In chloroform; benzene for 1.5h; Heating; Yield given;

: 100-44-7
benzyl chloride

salicylate potassium: salicylate potassium

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
With salicylic acid at 200℃; im geschlossenen Rohr;

: 100-44-7
benzyl chloride

salicylate salt: salicylate salt

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
at 130 - 140℃;

: 69-72-7
salicylic acid

o-sulfonbenzoic acid endo-anhydride: o-sulfonbenzoic acid endo-anhydride

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: K2CO3 / TEBAC / benzene; CHCl3 / 0.67 h / Heating 2: benzene; CHCl3 / 1.5 h / Heating View Scheme
Multi-step reaction with 2 steps 1: K2CO3 / TEBAC / benzene; CHCl3 / 0.33 h / Heating 2: benzene; CHCl3 / 1.5 h / Heating View Scheme

: 100-44-7
benzyl chloride

: 118-58-1
benzyl salicylate

: 5538-51-2
O-acetylsalicyloyl chloride

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: pyridine / dichloromethane / 12 h / 25 °C / Inert atmosphere 2: dmap / dichloromethane / 12 h / 25 °C / Inert atmosphere View Scheme

: 50-78-2
aspirin

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: dicyclohexyl-carbodiimide; dmap / dichloromethane / 19 h / 0 - 25 °C / Inert atmosphere 2: dmap / dichloromethane / 12 h / 25 °C / Inert atmosphere View Scheme
Multi-step reaction with 3 steps 1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 12 h / 0 - 25 °C / Inert atmosphere 2: pyridine / dichloromethane / 12 h / 25 °C / Inert atmosphere 3: dmap / dichloromethane / 12 h / 25 °C / Inert atmosphere View Scheme

: 50-78-2
aspirin

: 100-51-6
benzyl alcohol

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 1 h / 0 °C / Inert atmosphere 2: dmap / dichloromethane / 12 h / 25 °C / Inert atmosphere View Scheme

: 52602-17-2
2-acetoxybenzoic acid benzyl ester

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
With dmap In dichloromethane at 25℃; for 12h; Reagent/catalyst; Solvent; Inert atmosphere;

: 54-21-7
sodium salicylate

: 100-39-0
benzyl bromide

: 118-58-1
benzyl salicylate

Conditions

Conditions	Yield
With graphene oxide supported quaternary ammonium salt at 120℃; for 8h;

: 118-58-1
benzyl salicylate

: 563-47-3
3-Chloro-2-methylpropene

: benzyl 2-(2-methylallyl-oxy)benzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide	100%

: 103-82-2
phenylacetic acid

: 118-58-1
benzyl salicylate

: 2-Phenylacetoxy-benzoic acid benzyl ester

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran Ambient temperature;	96%

: 118-58-1
benzyl salicylate

: 18496-54-3
phenylbutyric acid chloride

: 1440531-27-0
C24H22O4

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃; for 18h;	96%

: 14660-52-7
ethyl 5-bromovalerate

: 118-58-1
benzyl salicylate

: benzyl 2-(5-ethoxy-5-oxopentyloxy)benzoate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile Reflux;	94%

: 118-58-1
benzyl salicylate

: 78718-15-7
trans-4-guanidinomethylcyclohexanecarboxylic acid hydrochloride

: 78718-25-9
2'-benzyloxycarbonylphenyl trans-4-guanidinomethylcyclohexanecarboxylate hydrochloride

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In pyridine; N,N-dimethyl-formamide	89%

: 32315-10-9
bis(trichloromethyl) carbonate

: 118-58-1
benzyl salicylate

: dibenzyl 2,2'-(carbonylbis(oxy))dibenzoate

Conditions

Conditions	Yield
With sodium hydrogencarbonate; triethylamine In tetrahydrofuran; dichloromethane; water at 0 - 20℃; for 2.5h; Inert atmosphere;	89%

: 118-58-1
benzyl salicylate

: 3588-57-6
Z-DL-Phe-OH

: 119697-50-6
2-(N-benzyloxycarbonyl-DL-phenylalanyloxy)-benzoic acid benzyl ester

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 24h;	88%

: 118-58-1
benzyl salicylate

: 579-75-9
2-Methoxybenzoic acid

A: 75679-47-9
benzyl 2-methoxybenzoate

B: 69-72-7
salicylic acid

Conditions

Conditions	Yield
Stage #1: 2-Methoxybenzoic acid With potassium carbonate In N,N-dimethyl acetamide at 110℃; for 0.5h; Stage #2: benzyl salicylate at 110℃; for 24h;	A 87% B n/a

...Expand

: 25542-62-5
6-bromo-hexanoic acid ethyl ester

: 118-58-1
benzyl salicylate

: benzyl 2-(6-ethoxy-6-oxohexyloxy)benzoate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile Reflux;	86%

: 118-58-1
benzyl salicylate

: 69-72-7
salicylic acid

Conditions

Conditions	Yield
With iodine; aluminium In acetonitrile at 80℃; for 18h;	86%

: 1189-71-5
isocyanate de chlorosulfonyle

: 118-58-1
benzyl salicylate

: 107575-65-5
benzyl O-carbamoylsalicylate

Conditions

Conditions	Yield
In dichloromethane for 2h; Ambient temperature;	85%

: 2752-38-7
(S)-1-(2-phenylacetyl)pyrrolidine-2-carboxylic acid

: 118-58-1
benzyl salicylate

: 92010-23-6
(S)-1-Phenylacetyl-pyrrolidine-2-carboxylic acid 2-benzyloxycarbonyl-phenyl ester

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	85%

: 77987-49-6
benzyl 2-hydroxyethylcarbamate

: 118-58-1
benzyl salicylate

: 1027249-66-6
C24H23NO5

Conditions

Conditions	Yield
With di-tert-butyl-diazodicarboxylate; triethylamine; triphenylphosphine In dichloromethane at 0℃; for 2.5h; intermolecular Mitsunobu reaction;	84%

: 118-58-1
benzyl salicylate

: 572-09-8
2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl bromide

: 2-benzyloxycarbonylphenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

Conditions

Conditions	Yield
With caesium carbonate; N-ethyl-N,N-diisopropylamine at 40℃; for 12h; Molecular sieve;	84%
With silver(l) oxide In quinoline at 20℃; for 1h; Koenigs-Knorr Glycosidation;	80%

: 118-58-1
benzyl salicylate

: 84520-86-5
(4S)-1-butyryl-4-<(carboxymethyl)methylamino>-L-proline 4-tert-butyl ester

: 84520-88-7
(4S)-1-butyryl-4-<(carboxymethyl)methylamino>-L-proline 4-tert-butyl ester 2-ester with benzyl salicylate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	83%

: 118-58-1
benzyl salicylate

: 677-24-7
methyl dichlorophosphoridate

: 87799-87-9
bis(2-(benzyloxycarbonyl)phenyl) methyl phosphate

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran for 0.5h; Ambient temperature;	82%
With sodium hydride 1.) THF, RT, 1 h, 2.) THF, RT, overnight; Yield given. Multistep reaction;

: 882-09-7
Clofibric acid

: 118-58-1
benzyl salicylate

: 90296-25-6
benzyl O-<2-(p-chlorophenoxy)-2-methylpropionyl>salicylate

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane Ambient temperature;	78%

: 118-58-1
benzyl salicylate

: 46147-15-3, 2154-68-9
3-carboxy proxyl

: C23H26NO5

Conditions

Conditions	Yield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 24h; Inert atmosphere;	78%

: 118-58-1
benzyl salicylate

: 92010-17-8
(S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid

: 92010-18-9
(S)-1-(3,3-Dimethyl-butyryl)-pyrrolidine-2-carboxylic acid 2-benzyloxycarbonyl-phenyl ester

Conditions

Conditions	Yield
With dmap In dichloromethane Ambient temperature;	77%

: 118-58-1
benzyl salicylate

: 6372-14-1
N-((benzyloxy)carbonyl)-L-phenylalaninol

: 1008103-70-5
C31H29NO5

Conditions

Conditions	Yield
With triphenylphosphine; diethylazodicarboxylate In dichloromethane at 0℃; for 2h; Mitsunobu reaction;	77%

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.

Product Name

Benzyl salicylate

Synthetic route

Benzyl salicylate Consensus Reports

Benzyl salicylate Specification

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