Ethyl isobutyrate
ethyl isobutyrate
CAS: 97-62-1
Molecular Formula: C6H12O2
Ethyl isobutyrate - Names and Identifiers
Ethyl isobutyrate - Physico-chemical Properties
| Molecular Formula | C6H12O2 |
| Molar Mass | 116.16 |
| Density | 0.865 g/mL at 25 °C (lit.) |
| Melting Point | -88°C |
| Boling Point | 112-113 °C (lit.) |
| Flash Point | 57°F |
| JECFA Number | 186 |
| Water Solubility | Not miscible or difficult to mix in water. Soluble in alcohol. |
| Solubility | alcohol: miscible(lit.) |
| Vapor Presure | 40 mm Hg ( 33.8 °C) |
| Vapor Density | 4.01 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| Merck | 14,3814 |
| BRN | 773846 |
| Storage Condition | Flammables area |
| Refractive Index | n20/D 1.387(lit.) |
| Physical and Chemical Properties | Colorless volatile liquid. It has a fruit and cream aroma. Melting point -88 ℃, boiling point 112~113 ℃. Slightly soluble in water, miscible with most organic solvents. Natural products are found in strawberries, honey, molasses, beer and champagne. |
| Use | Used as food flavor raw materials, can also be used for cigarettes, daily chemical products or other products, but also an excellent organic solvent |
Ethyl isobutyrate - Risk and Safety
| Risk Codes | R11 - Highly 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. |
| UN IDs | UN 2385 3/PG 2 |
| WGK Germany | 2 |
| RTECS | NQ4675000 |
| TSCA | Yes |
| HS Code | 29156000 |
| Hazard Class | 3 |
| Packing Group | II |
Ethyl isobutyrate - Reference Information
| FEMA | 2428 | ETHYL ISOBUTYRATE |
| olfactory Threshold | 0.000022ppm |
| LogP | 1.8 at 22.9℃ |
| 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 determination method (OT-18). The amount of the sample was 1.0g. The equivalence factor (e) in the calculation is taken as 58.08. It is appropriate to use the non-polar column method in GT-10-4. |
| toxicity | GRAS(FEMA). LD50800mg/kg (mouse, subcutaneous). |
| usage limit | FEMA(mg/kg): soft drinks 10; Cold drinks 25; Candy 73; Baked goods 200; pudding 6.0; Flower Layer 1.5. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-96 specifies the permitted use of flavorants. Mainly used for the preparation of cream and strawberry, cherry and other all fruit flavor. used as a solvent, also used in organic synthesis used as food flavor raw materials, can also be used for cigarettes, daily chemical products or other products, it is also an excellent organic solvent used in organic synthesis and perfume industry, and can also be used as a solvent. used as food flavor raw materials, can also be used for cigarettes, daily chemical products or other products, but also an excellent organic solvent |
| production method | is obtained by esterification of isobutyric acid and anhydrous ethanol. Mix isobutyric acid and anhydrous ethanol, carefully add concentrated sulfuric acid, heat and reflux for 14h, wash with water, saturated sodium bicarbonate solution and water in turn, dry with anhydrous magnesium sulfate, and then distill, the 109-111 ° C. Fraction was collected to obtain ethyl 2-methylpropionate in a yield of 69%. obtained by heating isobutyric acid and ethanol for esterification under azeotropic conditions followed by distillation. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | intraperitoneal-mouse LD50: 800 mg/kg |
| stimulation data | Skin-rabbit 500 mg/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 |
Last Update：2024-04-09 15:16:53
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