Benzyl formate supplier | CasNO.104-57-4

Name
Benzyl formate
EINECS 203-214-4
CAS No. 104-57-4
Article Data132
CAS DataBase
Density 1.088 g/mL at 25 °C(lit.)
Solubility Insoluble in water, soluble in organic solvents, oils.
Melting Point 4ºC
Formula C₈H₈O₂
Boiling Point 203 °C(lit.)
Molecular Weight 136.15
Flash Point 180 °F
Transport Information
Appearance Colorless Transparent Liquid
Safety 36/37
Risk Codes 21/22
Molecular Structure
Hazard Symbols R21/22:;
Synonyms Formicacid, benzyl ester (6CI,7CI,8CI);Benzyl alcohol, formate;Benzyl formate;Benzyl methanoate;NSC 8049;
PSA 26.30000
LogP 1.99550

Synthetic route

: 64-18-6
formic acid

: 100-51-6
benzyl alcohol

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With carbon monoxide at 150℃; under 75006 Torr; for 15h;	A n/a B 95%

...Expand

: 1927-62-4
tetrahydro-2-(benzyloxy)-2H-pyran

: 109-94-4
formic acid ethyl ester

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In pentane at 25℃; Photolysis;	A 2% B 3% C 94%

...Expand

: 14642-79-6
benzyloxy-trimethylsilane

: 109-94-4
formic acid ethyl ester

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
With titanium tetrachloride for 0.7h; Heating;	92%

: 72773-04-7
N-formylbenzotriazole

: 100-51-6
benzyl alcohol

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
In diethyl ether at 20℃; for 48h;	90%

: 100-07-2
4-methoxy-benzoyl chloride

: 100-51-6
benzyl alcohol

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
In dichloromethane for 2h; Ambient temperature;	87.5%

: 74885-84-0
2-oxopyridine-1(2H)-carbaldehyde

: 100-51-6
benzyl alcohol

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
In dichloromethane for 5h; Ambient temperature;	82%

: 64-18-6
formic acid

: 108-45-2
m-phenylenediamine

: 100-51-6
benzyl alcohol

A: 104-57-4
benzyl formate

B: 25227-79-6
N,N'-1,3-diaminobenzene-bis-formamide

Conditions

Conditions	Yield
With aminopropylated mesoporous SBA-15 silica at 40℃; for 2.5h; Neat (no solvent); chemoselective reaction;	A 15% B 82%

...Expand

: 107-31-3
Methyl formate

: 100-51-6
benzyl alcohol

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
With oxo[hexa(trifluoroacetato)]tetrazinc; C19H24N4O for 24h; Reflux;	82%
With potassium hexamethylsilazane; 1,3-bis(mesityl)imidazolium chloride In toluene at 45℃; for 16h; Inert atmosphere; Molecular sieve; Sealed tube;	80%
With [{lμ2-3-1κO-((carboxylatomethyl)amino)-4-chlorobenzoato}(N,N,N-κ3-2,3,5,6-tetrakis(2-pyridyl)pyrazine)zinc(II)]n(dimethylformamide)(water) In dimethyl sulfoxide at 80℃; for 12.5h; Time;	79%

: 88-95-9
Phthaloyl dichloride

A: 104-57-4
benzyl formate

B: 100-44-7
benzyl chloride

C: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
With N-Methylformamide In 1,4-dioxane at 40℃; for 2h;	A 9% B 79% C 12%

...Expand

: 124-38-9
carbon dioxide

: 100-44-7
benzyl chloride

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
With manganese; tetra-(n-butyl)ammonium iodide; cesium fluoride In N,N-dimethyl-formamide for 8h; UV-irradiation;	72%

: 98-88-4
benzoyl chloride

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 100-51-6
benzyl alcohol

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
In diethyl ether at -10℃; for 1h;	68%

...Expand

: 1024-41-5
benzyl tosylate

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
With water for 24h; Ambient temperature;	68%

: 124-38-9
carbon dioxide

: 100-39-0
benzyl bromide

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
With manganese; tetra-(n-butyl)ammonium iodide; cesium fluoride In N,N-dimethyl-formamide for 8h; UV-irradiation;	68%

: 64-18-6
formic acid

: 100-44-7
benzyl chloride

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
With triethylamine at 90℃; for 2h;	66%

: 124-38-9
carbon dioxide

: 100-51-6
benzyl alcohol

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
Stage #1: carbon dioxide With borane-ammonia complex; triethylamine In acetonitrile at 80℃; under 760.051 Torr; for 12h; Schlenk technique; Stage #2: benzyl alcohol With toluene-4-sulfonic acid In acetonitrile at 80℃; for 12h; Schlenk technique; Inert atmosphere;	65%

: 122-78-1
phenylacetaldehyde

A: 104-57-4
benzyl formate

B: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
With Desulfoarculus baarsii superoxide reductase E47A; dihydrogen peroxide In acetonitrile at 20℃; for 0.0333333h; pH=8.5; Reagent/catalyst; Inert atmosphere; Enzymatic reaction;	A n/a B 64%

: 75-87-6
chloral

: 100-51-6
benzyl alcohol

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
With potassium carbonate In acetone at 25℃; for 4.5h;	62%

: 134965-38-1
Hex-1-en-2-yl formate

: 100-51-6
benzyl alcohol

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
With 1H-imidazole In tetrahydrofuran at 50℃; for 24h;	60%

: 93-61-8
N-methyl-N-phenylformamide

: 100-51-6
benzyl alcohol

A: 104-57-4
benzyl formate

B: 100-44-7
benzyl chloride

Conditions

Conditions	Yield
Stage #1: N-methyl-N-phenylformamide With Phthaloyl dichloride In 1,4-dioxane at 50 - 80℃; for 1h; Stage #2: benzyl alcohol In 1,4-dioxane at 20 - 70℃; for 4h; Temperature;	A 60% B 40%

...Expand

: 122-78-1
phenylacetaldehyde

A: 103-82-2
phenylacetic acid

B: 104-57-4
benzyl formate

Conditions

Conditions	Yield
With ibid In dichloromethane at 20℃; for 1h;	A n/a B 59%

: 18197-22-3
N-formylformamide

: 100-51-6
benzyl alcohol

: 104-57-4
benzyl formate

Conditions

Conditions	Yield
for 20h; Ambient temperature;	55%

: 100-44-7
benzyl chloride

A: 350-50-5
benzyl fluoride

B: 103-50-4
dibenzyl ether

C: 104-57-4
benzyl formate

D: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
With potassium fluoride; formamide; tetrabutylammomium bromide at 120℃; for 72h;	A 20% B 46% C 22% D 20%
With potassium fluoride; formamide; tetrabutylammomium bromide at 120℃; for 72h;	A 20% B 46% C 22% D 5%
With potassium fluoride; formamide; tetrabutylammomium bromide at 120℃; for 72h;	A 20% B 46% C 22% D 5%
With potassium fluoride; formamide; tetrabutylammomium bromide at 120℃; for 72h;	A 20% B 46% C 20% D 5%
With potassium fluoride In formamide at 120℃; for 3h; Product distribution; effect of change water to formamide as solvent, effect of molar ratio of KF/HCONH2;	A 20.0 % Chromat. B 45.8 % Chromat. C 22.5 % Chromat. D 4.7 % Chromat.

...Expand

: 104-57-4
benzyl formate

: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In o-xylene at 80℃; for 24h; Inert atmosphere;	100%
Stage #1: benzyl formate With phenylsilane; C74H74Mn2N6P4 at 25℃; for 0.5h; Glovebox; Inert atmosphere; Stage #2: With sodium hydroxide In water at 25℃; for 2h; Glovebox; Inert atmosphere;	99%
Stage #1: benzyl formate With phenylsilane; (Ph2PPrPDI)Mn at 25℃; for 0.25h; Glovebox; Inert atmosphere; Stage #2: With sodium hydroxide In water at 25℃; for 2h; Catalytic behavior; Reagent/catalyst; Glovebox;	88%

: 104-57-4
benzyl formate

: 56-12-2
4-amino-n-butyric acid

: 5105-78-2
4-(benzyloxycarbonylamino)butyric acid

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran; water at 0 - 20℃; for 4h;	99%

: 104-57-4
benzyl formate

: 96-34-4
methyl chloroacetate

: methyl (Z)-2-chloro-3-benzyloxyacrylate

Conditions

Conditions	Yield
With tributyl-amine; titanium tetrachloride In dichloromethane at -78 - 5℃; for 1.16667h; Inert atmosphere; stereoselective reaction;	98%

: 104-57-4
benzyl formate

: 62-53-3
aniline

: 758640-21-0
N-Benzylaniline

Conditions

Conditions	Yield
dodecacarbonyl-triangulo-triruthenium at 200℃; for 6h;	95%
With dodecacarbonyl-triangulo-triruthenium at 200℃; for 6h;	95%

: 104-57-4
benzyl formate

: 60144-53-8
N-(tert-butoxycarbonyl)-4-fluoroaniline

: benzyl (4-fluorophenyl)carbamate

Conditions

Conditions	Yield
With cobalt(II) iodide; zinc; tris(p-dimethylaminophenyl)phosphine In toluene at 120℃; for 38h; Schlenk technique; Inert atmosphere; Glovebox;	94%

: 104-57-4
benzyl formate

: 122-79-2
Phenyl acetate

: phenyl (E)-3-benzyloxyacrylate

Conditions

Conditions	Yield
With titanium tetrachloride; triethylamine In dichloromethane at -20℃; for 1h; Inert atmosphere;	93%

: 538-74-9
dibenzyl sulfide

: 104-57-4
benzyl formate

: tribenzylsulfonium hydrogensulfate

Conditions

Conditions	Yield
With sulfuric acid at 20℃;	92%

: 3422-01-3
tert-butyl phenylcarbamate

: 104-57-4
benzyl formate

: 3422-02-4
N-(benzyloxycarbonyl)aniline

Conditions

Conditions	Yield
With cobalt(II) iodide; zinc; tris(p-dimethylaminophenyl)phosphine In toluene at 120℃; for 24h; Catalytic behavior; Reagent/catalyst; Temperature; Solvent; Schlenk technique; Inert atmosphere; Glovebox;	92%

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: 104-57-4
benzyl formate

A: 15376-83-7
(triphenylphosphine)3(CO)nickelk

B: 100-52-7
benzaldehyde

C: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
With triphenylphosphine In diethyl ether byproducts: 1,3-cyclooctadiene, 1,4-cyclooctadiene, bicyclooctene-1; ester added to Schlenk tube contg. Ni(cod)2, PPh3, and Et2O at room temp., stirred at 65°C for 4 h; cooled down to -30°C; GLC anal.;	A 90% B n/a C n/a

...Expand

: 104-57-4
benzyl formate

: 18437-68-8
tert-butyl N-(4-methoxyphenyl)carbamate

: 92851-13-3
benzyl 4-(methoxy)phenylcarbamate

Conditions

Conditions	Yield
With cobalt(II) iodide; zinc; tris(p-dimethylaminophenyl)phosphine In toluene at 120℃; for 48h; Schlenk technique; Inert atmosphere; Glovebox;	90%

: 92-66-0
4-bromo-1,1'-biphenyl

: 104-57-4
benzyl formate

: 71945-53-4
benzyl [1,1’-biphenyl]-4-carboxylate

Conditions

Conditions	Yield
With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; tri tert-butylphosphoniumtetrafluoroborate In o-xylene at 110℃; for 24h; Inert atmosphere;	90%

: 104-57-4
benzyl formate

: 18437-66-6
N-(t-butoxycarbonyl)-4-chloroaniline

: 6622-16-8
benzyl (4-chlorophenyl)carbamate

Conditions

Conditions	Yield
With cobalt(II) iodide; zinc; tris(p-dimethylaminophenyl)phosphine In toluene at 120℃; for 48h; Schlenk technique; Inert atmosphere; Glovebox;	89%

: 1585-07-5
1-bromo-4-ethylbenzene

: 104-57-4
benzyl formate

: benzyl 4-ethylbenzoate

Conditions

Conditions	Yield
With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; tri tert-butylphosphoniumtetrafluoroborate In o-xylene at 110℃; for 24h; Inert atmosphere;	88%

: 124-04-9
Adipic acid

: 104-57-4
benzyl formate

: 40542-90-3
adipic acid monobenzyl ester

Conditions

Conditions	Yield
With DOWEX 50W-X2 In octane at 100℃; for 4h; Heating / reflux;	87%
With DOWEX 50W-X2 In octane at 100℃; for 4h;	87%

: 104-57-4
benzyl formate

: 96-32-2
bromoacetic acid methyl ester

: methyl (Z)-2-bromo-3-benzyloxyacrylate

Conditions

Conditions	Yield
With titanium tetrachloride; triethylamine In dichloromethane at -40 - 5℃; for 1.16667h; Temperature; Inert atmosphere; stereoselective reaction;	87%

: 108-86-1
bromobenzene

: 104-57-4
benzyl formate

: 120-51-4
benzoic acid benzyl ester

Conditions

Conditions	Yield
With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; tri tert-butylphosphoniumtetrafluoroborate In o-xylene at 110℃; for 24h; Catalytic behavior; Reagent/catalyst; Solvent; Inert atmosphere;	87%

: 104-57-4
benzyl formate

: 106-49-0
p-toluidine

: 3085-54-9
N-(4-methylphenyl)formamide

Conditions

Conditions	Yield
With 1-(3-sulfopropyl)pyridinium phosphotungstate In neat (no solvent) at 70℃; for 0.166667h; Microwave irradiation; Sealed tube; Inert atmosphere;	86%

Benzyl formate Chemical Properties

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

Benzyl formate 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.

Benzyl formate 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.

Benzyl formate 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.

Benzyl formate Consensus Reports

Reported in EPA TSCA Inventory.

Benzyl formate 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

Benzyl formate Specification

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

Product Name

Benzyl formate

Synthetic route

Benzyl formate Chemical Properties

Benzyl formate Uses

Benzyl formate Production

Benzyl formate Toxicity Data With Reference

Benzyl formate Consensus Reports

Benzyl formate Safety Profile

Benzyl formate Specification

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