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| CAS No.: | 104-57-4 |
|---|---|
| Name: | Benzyl formate |
| Molecular Structure: | |
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|
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| 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 |
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| 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% |
| 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% |
| 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; |
| 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; |
| 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 | Yield |
|---|---|
| With carbon monoxide at 150℃; under 75006 Torr; for 15h; | A n/a B 95% |
| Conditions | Yield |
|---|---|
| bismuth(lll) trifluoromethanesulfonate for 0.75h; Heating; | 95% |
| K5 for 0.0833333h; Heating; | 90 % Chromat. |
| 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 | Yield |
|---|---|
| In pentane at 25℃; Photolysis; | A 2% B 3% C 94% |
| Conditions | Yield |
|---|---|
| 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.gif){kind=small}
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 .