ChemicalBook--->CAS DataBase List--->104-57-4

104-57-4

104-57-4 Structure

104-57-4 Structure
IdentificationMore
[Name]

Benzyl formate
[CAS]

104-57-4
[Synonyms]

BENZYL FORMATE
BENZYL METHANOATE
Benzyl methanoater
FEMA 2145
FORMIC ACID BENZYL ESTER
FORMIC ACID:BENZYL ESTER
N-BENZYL FORMATE
Benzyl alcohol, formate
benzylalcohol,formate
Benzylester kyseliny mravenci
benzylesterkyselinymravenci
Benzylformiat
Formicacid,phenylmethylester
formicacidphenylmethylester
BENZYL FORMATE 95+% FCC
FORMIC ACID BENZYL ESTER 95+%
Formic acid benzyl
[EINECS(EC#)]

203-214-4
[Molecular Formula]

C8H8O2
[MDL Number]

MFCD00014128
[Molecular Weight]

136.15
[MOL File]

104-57-4.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless liquid; fruity-spicy odor. Resembles benzyl acetate in many respects but differs in its greater volatility. Miscible with alcohols, ketones, oils, aromatic, aliphatic and halogenated hydrocarbons; insoluble in water.
[Melting point ]

3.6℃
[Boiling point ]

203 °C(lit.)
[density ]

1.088 g/mL at 25 °C(lit.)
[vapor pressure ]

1.69hPa at 20℃
[FEMA ]

2145
[refractive index ]

n20/D 1.511(lit.)
[Fp ]

180 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

clear liquid
[color ]

Colorless liquid
[Specific Gravity]

1.091 (20/4℃)
[Odor]

powerful fruity, spicy odor
[Odor Type]

floral
[Water Solubility ]

Insoluble in water, soluble in organic solvents, oils.
[JECFA Number]

841
[Merck ]

14,1134
[BRN ]

2041319
[LogP]

1.79 at 21.9℃
[CAS DataBase Reference]

104-57-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Formic acid, phenylmethyl ester(104-57-4)
[EPA Substance Registry System]

104-57-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R21/22:Harmful in contact with skin and if swallowed .
[Safety Statements ]

S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

1
[RTECS ]

LQ5400000
[TSCA ]

Yes
[HS Code ]

29151300
[Toxicity]

LD50 orl-rat: 1400 mg/kg FCTXAV 11,1019,73
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic anhydride-->Formic acid-->Benzyl chloride-->Benzyl alcohol-->Sodium formate-->(-)-MENTHYL CHLOROFORMATE-->2-benzylsulfanylnaphthalene-->N-Methylformanilide
[Preparation Products]

(S)-2-(N,N-disubstitued aminomethy)indoline-->16-(Benzyloxy)-16-Oxohexadecanoic Acid-->4-METHYLFORMANILIDE-->ADIPIC ACID MONOBENZYL ESTER-->Dodecanedioic acid, 1-(phenylmethyl) ester-->20-(Benzyloxy)-20-oxoicosanoic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

benzyl formate(104-57-4).msds
Hazard InformationBack Directory
[Hazard]

May be narcotic in high concentration.
[Chemical Properties]

Benzyl formate has an intense, pleasant, floral-fruity odor and sweet taste reminiscent of apricot and pineapple.
[Chemical Properties]

Colorless liquid; fruity-spicy odor. Resembles benzyl acetate in many respects but differs in its greater volatility. Miscible with alcohols, ketones, oils, aromatic, aliphatic and halogenated hydrocarbons; insoluble in water.
[Occurrence]

Reported found in the oil of Rosa rugosa, sour cherry, American cranberry, ligonberry, coffee, black tea, Agaricus mushroom, Ocimum basilicum, Bourbon vanilla and crowberry (Empetrum nigrum Coll.).
[Uses]

Solvent for cellulose esters; in perfumery.
[Definition]

ChEBI: Benzylformate is a carboxylic ester. It is functionally related to a benzyl alcohol.
[Preparation]

By heating a mixture of formic/acetic anhydride and benzyl alcohol to 50°C; by passing a mixture of formic acid and excess benzyl alcohol over a catalyst (ThO2 or TiO2) at high temperature.
[Taste threshold values]

Taste characteristics at 10 ppm: fresh cherry with a berry, strawberry fruity nuance.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 82, p. 2380, 1960 DOI: 10.1021/ja01494a065
The Journal of Organic Chemistry, 55, p. 2952, 1990 DOI: 10.1021/jo00296a072
[Safety Profile]

Moderately toxic by ingestion andskin contact. Mutation data reported. Probably narcotic inhigh concentrations. When heated todecomposition it emits acrid, irritating fumes.
Spectrum DetailBack Directory
[Spectrum Detail]

Benzyl formate(104-57-4)MS
Benzyl formate(104-57-4)1HNMR
Benzyl formate(104-57-4)13CNMR
Benzyl formate(104-57-4)IR1
Benzyl formate(104-57-4)IR2
Benzyl formate(104-57-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Benzyl formate, 97%(104-57-4)
[Sigma Aldrich]

104-57-4(sigmaaldrich)
[TCI AMERICA]

Benzyl Formate,>95.0%(GC)(104-57-4)
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