isoamyl
isoamyl propionate
CAS: 105-68-0
Molecular Formula: C8H16O2
isoamyl - Names and Identifiers
| Name | isoamyl propionate |
| Synonyms | isoamyl isoamyl propionate Isopentylpropanate Isopentyl propanoate isopentyl propionate iso-Amyl n-propionate Isoamyl Propionate Iso 3-methylbutyl propanoate 3-Methylbutyl propionate isopentylalcohol,propionate propionicacid,isopentylester Isopentyl alcohol, propionate propanoicacid3-methylbutylester Propionic acid, isopentyl ester |
| CAS | 105-68-0 |
| EINECS | 203-322-1 |
| InChI | InChI=1/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3 |
isoamyl - Physico-chemical Properties
| Molecular Formula | C8H16O2 |
| Molar Mass | 144.21 |
| Density | 0.871 g/mL at 25 °C (lit.) |
| Melting Point | -70.1°C (estimate) |
| Boling Point | 156 °C (lit.) |
| Flash Point | 118°F |
| JECFA Number | 44 |
| Water Solubility | 194.505mg/L at 25℃ |
| Solubility | Slightly soluble in water |
| Vapor Presure | 13.331hPa at 51.27℃ |
| Appearance | clear liquid |
| Color | Colorless to Almost colorless |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1%(V) |
| Refractive Index | n20/D 1.406(lit.) |
| Physical and Chemical Properties | Character: colorless liquid. With sweet fruit aroma, like apricot, Rubus, pineapple flavor. Boiling Point: 160-161 ℃(101.3kPa) relative density 0.866~0.871 refractive index 1.405~1.409 solubility: insoluble in water, glycerol, soluble in organic solvents such as ethanol. |
| Use | Used for apricot, pear, strawberry and other fruit flavor, can also be used as extractant and flavor, can also be used as nitrocellulose, resin solvent |
isoamyl - Risk and Safety
| Risk Codes | 10 - Flammable |
| Safety Description | S16 - Keep away from sources of ignition. S27 - Take off immediately all contaminated clothing. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S24 - Avoid contact with skin. S23 - Do not breathe vapour. |
| UN IDs | UN 3272 3/PG 3 |
| WGK Germany | 1 |
| RTECS | NT0190000 |
| HS Code | 29155000 |
| Hazard Class | 3.2 |
| Packing Group | III |
| Toxicity | LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
isoamyl - Reference Information
| FEMA | 2082 | ISOAMYL PROPIONATE |
| LogP | 3.365 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | determined by method 1 in ester determination method (OT-18). The sample quantity is 1g. The equivalent factor (e) in the calculation is 72.10. Or by gas chromatography (GT-10-4) with non-polar column method. |
| toxicity | ADI 1 mg/kg(CE). |
| usage limit | FEMA(mg/kg): soft drink 3.8; Cold drink 13; Candy 38; Baked food 6.1; Pudding 0.80~3.7; Glue |
| use | used for fruit-flavored edible flavors such as apricot, pear, strawberry, etc., can also be used as extractant and flavoring, and can also be used as a solvent for nitrocellulose and resin It can be used as a new head fragrance and used in flavors with flower and fruit fragrance. Mainly used for edible flavors, such as apricots, strawberries, Rubus, pineapple, raw pears, apples, bananas, plums, peaches, rum and other types. GB 2760-96 specifies edible spices that are allowed to be used. It is mainly used to prepare apricot, pineapple, banana and rum flavors. It is used to blend apple flavor, pineapple flavor, pear flavor, strawberry flavor and other flavors. It is also used for artificial flower essential oil. Used as cold food, bread and chewing gum spices. It can also be used as a solvent to dissolve nitrocellulose, nitro fiber paint, resin, etc. Used as solvent and extractant solvent. Extractants and spices. |
| production method | it is prepared by esterification reaction with propionic acid and isoamyl alcohol as raw materials and sulfuric acid as catalyst. Operation examples: 3kg of propionic acid, 2.3kg of isoamyl alcohol and 250g of sulfuric acid are mixed evenly, heated and refluxed for 8h. After cooling, the lower sulfuric acid solution is separated out, washed twice with water, then washed once with 10% sodium carbonate, and finally washed once with water. The separated water layer is dried with 10% potassium carbonate, and fractionated to collect 159-162 ℃ fractions as finished products. It is made by esterification of propionic acid and isoamyl alcohol under the catalysis of sulfuric acid. |
| category | flammable liquid |
| toxicity classification | low toxicity |
| acute toxicity | oral-rabbit LD50: 6924 mg/kg |
| flammability hazard characteristics | combustible in case of open flame, high temperature and strong oxidant; Combustion emission stimulates smoke |
| storage and transportation characteristics | complete packaging, light loading and unloading; warehouse ventilation, away from open flames, high temperature, separate storage from oxidant |
| fire extinguishing agent | foam, dry powder, carbon dioxide, sand, 1211 |
| spontaneous combustion temperature | 370°C |
Last Update：2024-04-09 02:00:05
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