NATURAL ETHYL BUTYRATE
Ethyl butyrate
CAS: 105-54-4
Molecular Formula: C6H12O2
NATURAL ETHYL BUTYRATE - Names and Identifiers
| Name | Ethyl butyrate |
| Synonyms | Ethylbutyrat Ethyl butyrate Ethyl butanoate N-ETHYL BUTYRATE ETHYL BUTYRATE Butyric acid ethyl Butanoic acid ethyl n-Buttersureethylester NATURAL ETHYL BUTYRATE Butyric acid ethyl ester BUTYRIC ACID ETHYLESTER(SG) |
| CAS | 105-54-4 |
| EINECS | 203-306-4 |
| InChI | InChI=1/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3 |
| InChIKey | OBNCKNCVKJNDBV-UHFFFAOYSA-N |
NATURAL ETHYL BUTYRATE - Physico-chemical Properties
| Molecular Formula | C6H12O2 |
| Molar Mass | 116.16 |
| Density | 0.875 g/mL at 25 °C (lit.) |
| Melting Point | -93 °C (lit.) |
| Boling Point | 120 °C (lit.) |
| Flash Point | 67°F |
| JECFA Number | 29 |
| Water Solubility | practically insoluble |
| Solubility | Soluble in propylene glycol, paraffin oil, and kerosene. |
| Vapor Presure | 15.5 mm Hg ( 25 °C) |
| Vapor Density | 4 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| Odor | Like apple or pineapple. |
| Merck | 14,3775 |
| BRN | 506331 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, acids, bases. |
| Refractive Index | n20/D 1.392(lit.) |
| Physical and Chemical Properties | Characteristics of colorless transparent liquid, with pineapple aroma. melting point -100.8 ℃ boiling point 121.3 ℃ relative density 0.8785 refractive index 1.4000 flash point 29.4 ℃ solubility: soluble in ethanol, ethyl ether and other organic solvents. The solubility in water at 20 °c was 0.49% by weight. |
| Use | Widely used in a variety of food, beverage, alcohol and tobacco flavor |
NATURAL ETHYL BUTYRATE - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R10 - Flammable R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S16 - Keep away from sources of ignition. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN 1180 3/PG 3 |
| WGK Germany | 1 |
| RTECS | ET1660000 |
| TSCA | Yes |
| HS Code | 29156000 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in rats: 13,050 mg/kg (Jenner) |
NATURAL ETHYL BUTYRATE - Upstream Downstream Industry
| Raw Materials | n-Butyric acid Ethyl Alcohol |
NATURAL ETHYL BUTYRATE - Reference Information
| FEMA | 2427 | ETHYL BUTYRATE |
| olfactory Threshold | 0.00004ppm |
| LogP | 2.433 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| assay | was determined by method one in the ester assay (ot-18). The amount of the sample was 1G. The equivalence factor (e) in the calculation is taken as 58.08. |
| toxicity | ADI 0-15(FAO/WHO,1994). Ld5013050 mg/kg (rat, oral). GRAS(FDA § 182.60,2000). |
| usage limit | FEMA(mg/kg): soft drinks 28; Cold drinks 44; Candy 98; Baked goods 93; pudding 54; Gum 1400. Moderate limits (FDA § 172.515,2000). |
| Use | is widely used in various foods, beverages, wine and tobacco flavor in suitable for special rose flavor and flower fruit flavor base (cosmetics), but the dosage should be small. It can also be used as a masking agent for the bad breath of industrial products. Mainly used for food flavor, such as pineapple, banana, apple, cherry, peach, apricot, grape, rum, cream, cheese caramel, walnut, Berry, etc. Tobacco, wine flavor is also used. GB 2760-96 provides for the permitted use of flavorants. Mainly used for the preparation of pineapple, grape, rum, strawberry flavor. ethyl butyrate is a kind of edible flavor that is allowed to be used by our country. It is commonly used in the preparation of apple, banana, pineapple and other fruit flavor, and also can be used for the flavor of cream flavor. Dosage according to the normal production needs, the general use level in chewing gum is about 1400mg/kg; 98mg/kg in candy; 93mg/kg in baked food; 44mg/kg in ice cream; 28 mg/kg in soft drinks. The product has fruit and pineapple aroma, and has a base aroma. In the spice industry, it is used to prepare the essence of fruits (apricot, peach, pineapple, melon, etc.) and the essence of wine (laolang wine). In addition, rose oil flavor, tobacco flavor is also used. Ethyl butyrate is industrially used as a solvent to dissolve nitrocellulose and a variety of natural or synthetic resins. solvent. Spices. used as standard substance and solvent for chromatographic analysis, and also used in perfume industry |
| production method | is obtained by esterification of butyric acid with ethanol in the presence of sulfuric acid. ethyl butyrate is naturally found in olive oil and strawberry juice and is produced industrially from butyric acid and ethanol. 18kg of butyric acid, 20kg of anhydrous ethanol and 200ml of concentrated sulfuric acid were added to the reaction vessel, and the reaction was heated to reflux for 12h. After cooling, it was washed with water, then neutralized with 5% Na2CO3 solution, and then washed with water until neutral. 1kg of anhydrous calcium chloride was added, dried, filtered and distilled, and the fraction at 119 to 121 ° C. Was collected to obtain 10kg of ethyl butyrate. C3H7COOH + C2H5OH[H2SO4] → C3H7COOC2H5 + H2O It is obtained by heating esterification with N-butyric acid and ethanol catalyzed by sulfuric acid or magnesium chloride followed by distillation. From N-butyric acid and ethanol in the presence of catalyst (CuO + UO3) by high temperature gas phase synthesis. |
| category | flammable liquid |
| toxicity grade | low toxicity |
| Acute toxicity | oral-rabbit LD50: 5228 mg/kg |
| stimulation data | Skin-rabbit 500 PPM/ 24 h moderate |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from oxidants and acids |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam |
| spontaneous combustion temperature | 865 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:45
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Raw Materials for NATURAL ETHYL BUTYRATE