Benzylformiat
benzyl formate
CAS: 104-57-4
Molecular Formula: C8H8O2
Benzylformiat - Names and Identifiers
| Name | benzyl formate |
| Synonyms | Benzylformiat benzyl formate benzylalcohol,formate Natural Benzyl formate Benzyl alcohol, formate Formic acid benzyl ester benzylesterkyselinymravenci formicacidphenylmethylester Formicacid,phenylmethylester Benzylester kyseliny mravenci |
| CAS | 104-57-4 |
| EINECS | 203-214-4 |
| InChI | InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2 |
Benzylformiat - Physico-chemical Properties
| Molecular Formula | C8H8O2 |
| Molar Mass | 136.15 |
| Density | 1.088g/mLat 25°C(lit.) |
| Melting Point | 3.6℃ |
| Boling Point | 203°C(lit.) |
| Flash Point | 180°F |
| JECFA Number | 841 |
| Water Solubility | Insoluble in water, soluble in organic solvents, oils. |
| Vapor Presure | 1.69hPa at 20℃ |
| Appearance | clear liquid |
| Specific Gravity | 1.091 (20/4℃) |
| Color | Colorless liquid |
| Odor | powerful fruity, spicy odor |
| Merck | 14,1134 |
| BRN | 2041319 |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | n20/D 1.511(lit.) |
| Physical and Chemical Properties | Colorless liquid. Molecular weight 136.15. Density 1.08g/cm3. Melting point 4 °c. Boiling Point 202 °c. Flash point 83. Slightly soluble in water. Dissolve in 80% ethanol at 1:3. It has a strong aroma similar to Jasmine and the sweet taste of apricot and pineapple. |
| Use | Esters of synthetic fragrances. It is mainly used as a blend of jasmine, orange flower, mast, Hyacinth, Carnation and other flavors. |
Benzylformiat - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 21/22 - Harmful in contact with skin and if swallowed. |
| Safety Description | S36 - Wear suitable protective clothing. S36/37 - Wear suitable protective clothing and gloves. S23 - Do not breathe vapour. |
| UN IDs | NA 1993 / PGIII |
| WGK Germany | 1 |
| RTECS | LQ5400000 |
| TSCA | Yes |
| HS Code | 29151300 |
| Toxicity | LD50 orl-rat: 1400 mg/kg FCTXAV 11,1019,73 |
Benzylformiat - Reference Information
| FEMA | 2145 | BENZYL FORMATE |
| LogP | 1.79 at 21.9℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| fragrance | benzyl formate is naturally present in rose oil. Benzyl formate has a strong floral aroma, a jasmine-like flavor, and a fruit and spicy aroma, as well as a BlackBerry-like aroma. Appearance is liquid, boiling point 202 deg C, 84~85 deg C/1.3kPa. According to the information provided by RIFM, acute toxicity data of benzyl formate: Oral ld501.7 ml/kg (RAT), skin test LD502ml/kg (rabbit). Typically, benzyl formate is prepared by esterification of formic acid with benzyl alcohol. Benzyl formate can be used in the formula of daily chemical essence, commonly used in the preparation of jasmine, Hyacinth, gardenia, orange flower, Carnation and other flavor, the dosage is less than 1%. There are no restrictions on IFRA. Benzyl formate is recognized by FEMA as GRAS,FEMA No. 2145 and is approved for consumption by the FDA. The European Council also lists benzyl formate in the list of artificial flavors that can be used in food without harming human health. China GB2760-1996 regulations allow the use of edible spices. Benzyl formate can be used in food flavor formula, commonly used in the preparation of apricot, peach, plum, pineapple, coconut, banana, cherry and other fruit flavor. |
| content analysis | gas-liquid chromatography analysis was performed using a non-polar column in GT-10-4. |
| toxicity | ADI 5 mg/kg(CE). GRAS(FEMA;FDA, 172.515,2000). |
| usage limit | FEMA(mg/kg): Beverage 2.4; Ice cream 8.0; Candy 12.0; Baked goods 8.6; gum 3.2. FDA,§ 172.515(2000): dose tolerance is limited. |
| Use | GB 2760-1996 specifies the permitted use of flavorants. Mainly used for apricot, banana, cherry, peach, plum, plum, pear, pineapple, chocolate flavor. solvent, fragrance. As a solvent can be used for nitrocellulose, cellulose acetate. For spices, can be used to mix a variety of essences, such as the preparation of pigment, orange flower, Rose, Hyacinth, bamboo and other flower essential oils; Also used for the preparation of apricot, peach, banana, plum, pineapple and other food flavors. It is commonly used in floral fragrance base, but only a small amount of it can be used in Jasmine, tuberose, orange flower, Hyacinth, sunflower, vanilla and other fragrance and occlusal flavor. Because the aroma is sharp, the flavor after the preparation should be placed for a period of time to reconcile it. Because of the sweet taste, can be used in apricot, banana, pineapple, cherry, peach, plum, plum, pear, nut, honey, chocolate and other food flavor and wine flavor. ester synthetic fragrance. It is mainly used as a blend of jasmine, orange flower, mast, Hyacinth, Carnation and other flavors. |
| production method | results from the reaction of benzyl chloride with formic acid. Benzyl chloride, excess sodium formate and formic acid were placed in a sealed container and reacted at 140 ° C. For 2H. Alternatively, anhydrous acetic acid is added to anhydrous formic acid under cooling, the mixture is preheated to 50 ° C., benzyl alcohol is slowly added, the reaction is maintained at 50 ° C., and then water is added for washing, drying, and fractional distillation to obtain a finished product. From benzyl alcohol and formic acid esterification. |
| category | toxic substances |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 1400 mg/kg; Skin-rabbit LD50: 2000 mg/kg |
| flammability hazard characteristics | flammable; Combustion-induced smoke; high concentration may have anesthetic effect on human |
| storage and transportation characteristics | ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, water mist |
Last Update：2024-04-10 22:29:15
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