105-57-7
Acetal
CAS: 105-57-7
Molecular Formula: C6H14O2
105-57-7 - Names and Identifiers
105-57-7 - Physico-chemical Properties
| Molecular Formula | C6H14O2 |
| Molar Mass | 118.17 |
| Density | 0.831g/mLat 25°C(lit.) |
| Melting Point | -100 °C |
| Boling Point | 103 °C |
| Flash Point | -6°F |
| JECFA Number | 941 |
| Water Solubility | 46 g/L (25 ºC) |
| Solubility | 46g/l |
| Vapor Presure | 20 mm Hg ( 20 °C) |
| Vapor Density | 4.1 (vs air) |
| Appearance | Liquid |
| Color | Clear colorless |
| Merck | 14,38 |
| BRN | 1098310 |
| Storage Condition | Store at +2°C to +8°C. |
| Stability | Stable. Highly flammable. May form peroxides in storage. Test for peroxides before use. Vapors may form an explosive mixture with air, and may travel to source of ignition and flash back. |
| Explosive Limit | 1.6-10.4%(V) |
| Refractive Index | n20/D 1.379-1.383(li |
| Physical and Chemical Properties | Volatile colorless liquid. Boiling point of 103.2 deg C, 21 deg C (2.93kPa), the relative density of 0.8314(20.4 deg C), the refractive index of 1.3834. It is miscible with ethanol and ether. Soluble in water, acetic acid, heptane, butanol and ethyl acetate. Long-term storage is easy to aggregate. Stable in alkaline. |
| Use | Used as an important alcohol additive, can be used as a solvent, but also for the synthesis of dyes, plastics, spices, etc |
105-57-7 - Risk and Safety
| Risk Codes | R11 - Highly Flammable R36/38 - Irritating to eyes and skin. |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S33 - Take precautionary measures against static discharges. |
| UN IDs | UN 1088 3/PG 2 |
| WGK Germany | 2 |
| RTECS | AB2800000 |
| TSCA | Yes |
| HS Code | 29110000 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 4.57 g/kg (Smyth) |
105-57-7 - Reference Information
| FEMA | 2002 | ACETAL |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | 1,1-diethoxyethane (1,1-diethoxyethane) is one of the main downstream products of ethanol, it has the advantages of low toxicity, good solubility and low boiling point. It is an important intermediate for the synthesis of carbonyl compounds such as ketones and aldehydes. At the same time, 1, 1-diethoxyethane and diesel oil have good miscibility and excellent combustion performance, which can replace ethanol as an oxygen-containing component of diesel oil, and can greatly reduce the emission of particulates and NO, increase the number of twenty-six, is a potential high-quality fuel and fuel additives. |
| Application | 1, 1-diethoxyethane is also a new type of high-grade perfume and important synthetic intermediate, widely used in cosmetics, food and other additives industry and organic synthesis. acetal can be used as a solvent, also used in the synthesis of dyes, plastics, fragrances and organic synthesis of aldehyde groups. used as an important alcohol additive, can be used as a solvent, also used in the synthesis of dyes, plastics, spices, etc. Used as a solvent, it is also used in the pharmaceutical industry GB 2760-1996 provides for the permitted use of food flavors. |
| preparation | to a ML reactor, add 39.5g of ethanol, and add g of ruthenium chloride at room temperature, after replacing the air in the reactor with oxygen, pure oxygen with a pressure of 2MPa is continuously introduced into the anhydrous ethanol in the reactor at 120 ° C. Under the stirring condition of 600r/min, after 3H of reaction, the reaction mixture was cooled, and the liquid product was analyzed by gas chromatography. The conversion of ethanol was calculated to be 38.1%, and the selectivity to 1, 1-diethoxyethane was 78.0%. |
| toxicity | can be used safely in foods (FDA,§ 172.515,2000). |
| usage limit | FEMA(mg/kg): Soft drink 7.3; Cold drink 52; Candy 39; 60~120 baking food. |
| production method | is obtained by reacting ethanol and acetaldehyde in the presence of anhydrous calcium chloride (or a small amount of hydrochloric acid). an oily substance is obtained by the action of acetaldehyde and ethanol in the presence of anhydrous calcium chloride and a small amount of inorganic acid, dried over anhydrous potassium carbonate, and fractionated to collect a fraction of 101-103.5 ° C., which is a finished product. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 4600 mg/kg; Oral-mouse LD50: 3500 mg/kg |
| stimulation data | Skin-rabbits 500 mg/24 h mild; eye-rabbit 500 mg/24 h mild |
| explosive hazard characteristics | explosive when mixed with air; peroxide generated in exposure to air can burst |
| 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, dry stone powder, carbon dioxide, foam |
| auto-ignition temperature | 446 F & 1 f & 446 f |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:01:54
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