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| CAS No.: | 120-51-4 |
|---|---|
| Name: | Benzyl benzoate |
| Molecular Structure: | |
|
|
|
| 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: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 25 |
| PSA: | 26.30000 |
| LogP: | 3.04360 |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 triethylamine | 94% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| [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% |
| Conditions | Yield |
|---|---|
| tributylphosphine In dichloromethane at 20℃; | 100% |
(PPh3)3CoH(N2)
2,2,2-trifluoroethyl benzoate
A
(trifluoroethoxo)tris(triphenylphosphine)cobalt(I)
B
benzoic acid benzyl ester
C
nitrogen
D
hydrogen
E
benzene
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| In acetonitrile at 20℃; for 7h; | 99% |
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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 (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 can be generated from benzaldehyde by the Tishchenko reaction.
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Hazard Codes: 
Xn
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 , 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.
