2-ethylpentanoate
propyl butyrate
CAS: 105-66-8
Molecular Formula: C7H14O2
2-ethylpentanoate - Names and Identifiers
| Name | propyl butyrate |
| Synonyms | propyl butyrate 1-propylbutyrate propyl butanoate propyl hexanoate 1-propylbutanoate 2-ethylpentanoate Butyricaidpropylester Propyl Butyrate Butyl Butanoicacid,propylester n-Butyric acdi n-propyl ester |
| CAS | 105-66-8 |
| EINECS | 203-320-0 |
| InChI | InChI=1/C7H14O2/c1-3-5-6(4-2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1 |
2-ethylpentanoate - Physico-chemical Properties
| Molecular Formula | C7H14O2 |
| Molar Mass | 130.18 |
| Density | 0.873 g/mL at 25 °C (lit.) |
| Melting Point | 95°C |
| Boling Point | 142-143 °C (lit.) |
| Flash Point | 102°F |
| JECFA Number | 150 |
| Water Solubility | 1.614g/L(17 ºC) |
| Vapor Presure | 0.082mmHg at 25°C |
| Appearance | clear liquid |
| Color | Colorless to Almost colorless |
| Merck | 14,7846 |
| BRN | 1745552 |
| Storage Condition | Flammables area |
| Refractive Index | n20/D 1.4(lit.) |
| Physical and Chemical Properties | Density 0.873
|
2-ethylpentanoate - 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 3272 3/PG 3 |
| WGK Germany | 2 |
| RTECS | ET6200000 |
| HS Code | 29156000 |
| Hazard Class | 3.2 |
| Packing Group | III |
| Toxicity | LD50 orally in rats: 15,000 mg/kg, P. M. Jenner et al., Food Cosmet. Toxicol. 2, 327 (1964) |
2-ethylpentanoate - Reference Information
| FEMA | 2934 | PROPYL BUTYRATE |
| olfactory Threshold | 0.011ppm |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| flavors and fragrances | propyl butyrate, also known as n-propyl butyrate, it is mainly used for the preparation of edible flavor and daily chemical flavor. This product is colorless liquid at room temperature, like pineapple and almond aroma, sweet banana and pineapple fruit flavor, boiling point 142~143 ℃, density D4200.8722, refractive index nD201.3995, almost insoluble in water and ethanol, ether miscible. |
| preparation method | prepared by boiling propanol and butyric acid in a benzene solution in the presence of p-methylbenzenesulfonic acid. In a 500ml round-bottom flask equipped with an oil-water separator and a thermometer, add 1mol of butyric acid and 1.2MOL of propanol and 5g of solid superacid catalyst, 100ml of dichloromethane, the mixture was heated to reflux and reacted until anhydrous components appeared in the oil-water separator, separated by layers, the aqueous layer was extracted twice with benzene, the organic layer was combined, washed with water, neutralized with 5% Na2CO3, and dried with anhydrous sodium sulfate, the benzene was distilled off first, and then the product of propyl butyrate was fractionated under reduced pressure. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): Soft drink 6.8; Cold drink 4.6; Candy 24; Baked product 16.0;FDA(§ 172.515,2000): moderate limits. |
| Use | solvent. Organic Synthesis. |
| category | flammable liquid |
| toxicity grade | low toxicity |
| Acute toxicity | oral-rat LD50: 15000 mg/kg |
| flammability hazard characteristics | flammable in case of open flame, high temperature and oxidant; combustion-induced smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
Last Update：2024-04-09 15:16:45
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