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104-57-4

Basic Information
CAS No.: 104-57-4
Name: Benzyl formate
Article Data: 132
Molecular Structure:
Molecular Structure of 104-57-4 (Benzyl formate)
Formula: C8H8O2
Molecular Weight: 136.15
Synonyms: Formicacid, benzyl ester (6CI,7CI,8CI);Benzyl alcohol, formate;Benzyl formate;Benzyl methanoate;NSC 8049;
EINECS: 203-214-4
Density: 1.088 g/mL at 25 °C(lit.)
Melting Point: 4ºC
Boiling Point: 203 °C(lit.)
Flash Point: 180 °F
Solubility: Insoluble in water, soluble in organic solvents, oils.
Appearance: Colorless Transparent Liquid
Hazard Symbols: R21/22:;
Risk Codes: 21/22
Safety: 36/37
PSA: 26.30000
LogP: 1.99550
Synthetic route
64-18-6

formic acid

100-51-6

benzyl alcohol

104-57-4

benzyl formate

Conditions
ConditionsYield
With nickel oxinate In neat (no solvent) at 25℃; chemoselective reaction;99%
With tribromo-isocyanuric acid In neat (no solvent) at 20℃; for 0.0833333h;98%
With zirconium hydrogen sulfate In hexane at 20℃; for 1.5h;95%
100-51-6

benzyl alcohol

109-94-4

formic acid ethyl ester

104-57-4

benzyl formate

Conditions
ConditionsYield
With tribromomelamine In neat (no solvent) at 20℃; for 0.5h; Green chemistry; chemoselective reaction;99%
With sulfonic acid supported on polydopamine (PDA)-encapsulated Fe3O4 nanoparticles In neat (no solvent) at 40℃; for 1h; Green chemistry; chemoselective reaction;98%
With bismuth(lll) trifluoromethanesulfonate for 0.5h; Heating;96%
590-29-4

potassium formate

100-44-7

benzyl chloride

104-57-4

benzyl formate

Conditions
ConditionsYield
Silica D22; tetramethlyammonium chloride at 150℃; for 2h; Mechanism; other alkyl halides, other alkali salts, other catalyst;97%
Silica D22; tetramethlyammonium chloride at 150℃; for 2h;97%
Amberlyst A27 In toluene at 95℃; for 15h; Product distribution; other catalysts (ion exchange resins);97 % Chromat.
With Amberlyst A27 In toluene at 95℃; for 20h;100.0 % Chromat.
With graphene oxide-supported quaternary ammonium salt at 80℃; for 8h;
141-53-7

sodium formate

100-44-7

benzyl chloride

104-57-4

benzyl formate

Conditions
ConditionsYield
tetrabutylammomium bromide at 125℃; for 0.5h;96%
With formic acid at 140℃; im geschlossenen Rohr;
With sodium hydroxide; N,N-didecyl-N,N-dimethylammonium bromide In toluene at 120℃; for 2h;
With graphene oxide-supported quaternary ammonium salt at 100℃; for 5h;
74885-83-9

1-Formyl-4(1H)-pyridinon

100-51-6

benzyl alcohol

104-57-4

benzyl formate

Conditions
ConditionsYield
In dichloromethane for 1h; Ambient temperature;96%
89781-11-3

potassium 2-naphthalenethiolate

100-51-6

benzyl alcohol

A

104-57-4

benzyl formate

B

7570-97-0

benzyl 2-naphthylsulfide

Conditions
ConditionsYield
With carbon monoxide at 150℃; under 75006 Torr; for 15h;A n/a
B 95%
1927-62-4

tetrahydro-2-(benzyloxy)-2H-pyran

109-94-4

formic acid ethyl ester

104-57-4

benzyl formate

Conditions
ConditionsYield
bismuth(lll) trifluoromethanesulfonate for 0.75h; Heating;95%
K5 for 0.0833333h; Heating;90 % Chromat.
68-12-2, 33513-42-7

N,N-dimethyl-formamide

100-51-6

benzyl alcohol

104-57-4

benzyl formate

Conditions
ConditionsYield
With fluorosulfonyl fluoride; caesium carbonate at 20℃; for 12h; Sealed tube;95%
With hydrogenchloride; iron(III) chloride hexahydrate In hexane; water at 80℃; for 14h;82%
114541-87-6

benzyloxychlorocarbene

A

104-57-4

benzyl formate

B

100-52-7

benzaldehyde

C

100-44-7

benzyl chloride

Conditions
ConditionsYield
In pentane at 25℃; Photolysis;A 2%
B 3%
C 94%
14642-79-6

benzyloxy-trimethylsilane

109-94-4

formic acid ethyl ester

104-57-4

benzyl formate

Conditions
ConditionsYield
With titanium tetrachloride for 0.7h; Heating;92%
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Chemistry

Molecular Formula: C8H8O2
Molar mass: 136.15 g/mol
EINECS: 203-214-4
Density: 1.081 g/cm3
Flash Point: 99.5 °C
Index of Refraction: 1.511
Boiling Point: 203.8 °C at 760 mmHg
Vapour Pressure: 0.273 mmHg at 25°C
Appearance: Colorless liquid to pale yellow, chive and jasmine seems good aroma and sweet balsam gas
Solubility: Soluble in alcohol and essential oil, slightly soluble in water
Stable: Alkali unstable, water easily hydrolyzed, long stored
Product categories of Benzyl formate (104-57-4): Industrial/Fine Chemicals;Flavors and Fragrances;Alphabetical Listings
Structure of Benzyl formate (104-57-4):

XLogP3-AA: 1.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Systematic Name: Benzyl formate 
SMILES: O=COCc1ccccc1 
InChI: InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2 
InChIKey: UYWQUFXKFGHYNT-UHFFFAOYAZ 
Std. InChI: InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2 
Std. InChIKey: UYWQUFXKFGHYNT-UHFFFAOYSA-N

Uses

 Benzyl formate (104-57-4) can be used as a solvent for nitrification of cellulose and cellulose acetate.And also it can be used for allocating various flavor, such as meat smell, orange flower mix and sweet, hyacinth essence; planting flowers, etc. Also it has been used for modulation flavor.

Production

 Benzyl formate (104-57-4) can be obtained by the reaction of Benzyl chloride with Formic acid .Take Benzyl chloride , excess Formic acid and Sodium formate into the sealed container, and has the reaction 2h in 140 degrees Celsius.

Toxicity Data With Reference

1.    

dnr-bcs 22 mg/disc

    OIGZSE    Osaka-shi Igakkai Zasshi. Journal of Osaka City Medical Association. 34 (1985),267.
2.    

orl-rat LD50:1400 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 11 (1973),1019.
3.    

skn-rbt LD50:2000 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 11 (1973),1019.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion and skin contact. Mutation data reported. Probably narcotic in high concentrations. See also ESTERS. When heated to decomposition it emits acrid, irritating fumes.
 

Hazard Codes: Xn
Risk Statements:
21:  Harmful in contact with skin
22:  Harmful if swallowed 
Safety Statements:
36:  Wear suitable protective clothing 
37:  Wear suitable gloves

Specification

 Benzyl formate (104-57-4) also can be called Formic acid, phenylmethyl ester ; Benzyl alcohol, formate ; Phenylmethyl formate ; Ameisensaeurebenzylester ;and Benzyl methanoate .