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120-51-4

Basic Information
CAS No.: 120-51-4
Name: Benzyl benzoate
Article Data: 862
Cas Database
Molecular Structure:
Molecular Structure of 120-51-4 (Benzyl benzoate)
Formula: C14H12O2
Molecular Weight: 212.248
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;
EINECS: 204-402-9
Density: 1.128 g/cm3
Melting Point: 18 °C
Boiling Point: 324.1 °C at 760 mmHg
Flash Point: 147.9 °C
Solubility: practically insoluble
Appearance: colourless oily liquid with pleasant aromatic odor
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 25
Transport Information: N/A
PSA: 26.30000
LogP: 3.04360
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%
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Chemistry

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.

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.

Production

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

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

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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