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Benzyl benzoate

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Name

Benzyl benzoate

EINECS 204-402-9
CAS No. 120-51-4 Density 1.128 g/cm3
PSA 26.30000 LogP 3.04360
Solubility practically insoluble Melting Point 18 °C
Formula C14H12O2 Boiling Point 324.1 °C at 760 mmHg
Molecular Weight 212.248 Flash Point 147.9 °C
Transport Information N/A Appearance colourless oily liquid with pleasant aromatic odor
Safety 25 Risk Codes 22
Molecular Structure Molecular Structure of 120-51-4 (Benzyl benzoate) Hazard Symbols HarmfulXn
Synonyms

Benzylis benzoas;Peruscabina;Colebenz;Benzyl phenylformate;Benzoesaeurebenzylester;Peruscabin;Antiscabiosum;Ascabiol;Benzyl-benzoate;Benzyl benzoate (natural);Scabide;Ascabin;Benzyl alcohol benzoic ester;Benzyl benzenecarboxylate;Benylate;Vanzoate;Benzylum benzoicum;Benzylbenzenecarboxylate;Phenylmethyl benzoate;Venzonate;Scabagen;Scabanca;benzoic acid, phenylmethyl ester;Benzyl Benzoate , Natural;

Article Data 862

Benzyl benzoate Synthetic route

100-52-7

benzaldehyde

120-51-4

benzoic acid benzyl ester

Conditions
ConditionsYield
With [(ImDippN)Th{N(SiMe3)2}3] In benzene-d6 at 20℃; for 24h; Reagent/catalyst; Time;100%
With lithium In hexane at 20℃; for 96h; Product distribution; Mechanism; Rate constant; concn. of title compd., reaction time varied; reaction at metal surface;99%
With bis(1,5-cyclooctadiene)nickel(0); 1,3-bis-(2,6-diisopropylphenyl)-4,5-dichloroimidazol-2-ylidene In toluene at 23 - 60℃; Tishchenko reaction; Inert atmosphere;99%
98-88-4

benzoyl chloride

100-51-6

benzyl alcohol

120-51-4

benzoic acid benzyl ester

Conditions
ConditionsYield
With bifunctional polymer In toluene at 20℃; for 6h;100%
Stage #1: benzoyl chloride; benzyl alcohol In dichloromethane at 20℃;
Stage #2: With poly{trans-bicyclo[2.2.1]hept-5-ene-2,3-di(chlorocarbonyl)} In dichloromethane Heating;
95%
With triethylamine94%
65-85-0

benzoic acid

100-51-6

benzyl alcohol

120-51-4

benzoic acid benzyl ester

Conditions
ConditionsYield
With cyanomethylenetributyl-phosphorane In benzene at 100℃; for 24h;100%
With TiO(acac)2 In xylene for 15h; Heating;100%
With fluorosulfonyl fluoride; N-ethyl-N,N-diisopropylamine In 1,2-dichloro-ethane at 20℃; for 5h;99%
93-58-3

benzoic acid methyl ester

100-51-6

benzyl alcohol

120-51-4

benzoic acid benzyl ester

Conditions
ConditionsYield
With 1,3-bis(3,5-bis(trifluoro-ethyl)phenyl)thiourea; 4-pyrrolidin-1-ylpyridine In octane for 24h; Reflux;100%
With dilithium tetra(tert-butyl)zincate at 0℃; for 1h; Temperature; Inert atmosphere;100%
With lanthanum(III) isopropoxide; 2-(2-methoxyethoxy)ethyl alcohol In hexane Reflux; chemoselective reaction;97%
93-97-0

benzoic acid anhydride

100-51-6

benzyl alcohol

120-51-4

benzoic acid benzyl ester

Conditions
ConditionsYield
erbium(III) triflate In acetonitrile at 50℃; for 0.833333h;100%
With bismuth(lll) trifluoromethanesulfonate In acetonitrile for 0.5h; Heating;98%
With tris(pentafluorophenyl)borate In neat (no solvent) at 20℃; for 0.166667h; Green chemistry;95%
100-44-7

benzyl chloride

65-85-0

benzoic acid

120-51-4

benzoic acid benzyl ester

Conditions
ConditionsYield
With triethylamine at 90℃; for 2h; Reagent/catalyst; Solvent; Ionic liquid;100%
With triethylamine for 1h; Heating; Inert atmosphere; Ionic liquid;99%
With caesium carbonate In acetonitrile for 0.5h; Heating;90%
93-89-0

benzoic acid ethyl ester

100-51-6

benzyl alcohol

120-51-4

benzoic acid benzyl ester

Conditions
ConditionsYield
[Cl(C6F13C2H4)2SnOSn(C2H4C6F13)2Cl]2 In toluene at 150℃; for 16h;100%
With 1,3-bis(2,6-diisopropylphenyl)imidazolylium-2-carboxylate at 120℃; for 3h; Inert atmosphere;97%
With 1,3-bis(2,6-diisopropylphenyl)imidazolylium-2-carboxylate at 120℃; for 3h; Reagent/catalyst; Concentration; Inert atmosphere; Schlenk technique;97%
With C16H25N3O2S In n-heptane for 48h; Reflux; Molecular sieve; Inert atmosphere;92%
10002-30-9

S-pyridin-2-yl benzenecarbothioate

100-51-6

benzyl alcohol

120-51-4

benzoic acid benzyl ester

Conditions
ConditionsYield
tributylphosphine In dichloromethane at 20℃;100%
1579-72-2

2,2,2-trifluoroethyl benzoate

A

99668-73-2

(trifluoroethoxo)tris(triphenylphosphine)cobalt(I)

B

120-51-4

benzoic acid benzyl ester

C

7727-37-9

nitrogen

D

1333-74-0

hydrogen

E

71-43-2

benzene

Conditions
ConditionsYield
In toluene PhCOOCH2CF3 added to toluene soln. of CoH(N2)(PPh3)3, evacuated, stirred at 20°C for 2 days;A n/a
B 28%
C 100%
D 17%
E 32%
582-25-2

Potassium benzoate

benzyldiphenylsulfonium tetrafluoroborate

120-51-4

benzoic acid benzyl ester

Conditions
ConditionsYield
In acetonitrile at 20℃; for 7h;99%

Benzyl benzoate Chemical Properties

Molecular structure of Benzyl benzoate (CAS NO.120-51-4) is:

Product Name: Benzyl benzoate
CAS Registry Number: 120-51-4
IUPAC Name: Benzyl benzoate
Molecular Weight: 212.24388 [g/mol]
Molecular Formula: C14H12O2
XLogP3: 4
H-Bond Donor: 0
H-Bond Acceptor: 2 
EINECS: 204-402-9
Melting Point: 18 °C
Surface Tension: 44 dyne/cm
Density: 1.128 g/cm3
Flash Point: 147.9 °C
Enthalpy of Vaporization: 56.61 kJ/mol
Boiling Point: 324.1 °C at 760 mmHg
Vapour Pressure: 0.00025 mmHg at 25°C
Water Solubility: practically insoluble
Stability: Stable. Substances to be avoided include strong oxidizing agents. Combustible.

Benzyl benzoate Uses

 Benzyl benzoate (CAS NO.120-51-4) may be used as an antiparasitic insecticide to kill  the mites and lice responsible for the skin condition scabies. Also it can be used as a food additive in artificial flavors, a treatment for sweet itch in horses, a solvent for various chemical reactions, a solvent for various chemical reactions, a fixative in fragrances to improve the stability and other characteristics of the main ingredients.

Benzyl benzoate Production

 Benzyl benzoate can be generated from benzaldehyde by the Tishchenko reaction.

Benzyl benzoate Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22 
R22:Harmful if swallowed.
Safety Statements: 25 
S25:Avoid contact with eyes.
WGK Germany: 2
RTECS: DG4200000
HS Code: 29163100

Benzyl benzoate Specification

 Benzyl benzoate , its cas register number is 120-51-4. It also can be called Benylate ; Benzoic acid, benzyl ester ; Benzoic acid, phenylmethyl ester ; Phenylmethyl benzoate ; Novoscabin ; Peruscabin ; Peruscabina ; Scabagen ; Scabanca ; Scabide ; Scabiozon ; Scabitox ; Scobenol ; Spasmodin .It is a colourless oily liquid with pleasant aromatic odor.

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