2-Propenyl ester of acetic acid
Allyl acetate
CAS: 591-87-7
Molecular Formula: C5H8O2
2-Propenyl ester of acetic acid - Names and Identifiers
2-Propenyl ester of acetic acid - Physico-chemical Properties
| Molecular Formula | C5H8O2 |
| Molar Mass | 100.12 |
| Density | 0.928 g/mL at 25 °C (lit.) |
| Melting Point | 6°C |
| Boling Point | 103-104 °C (lit.) |
| Flash Point | 44°F |
| Water Solubility | slightly |
| Solubility | 28g/l |
| Vapor Presure | 27.2 hPa (20 °C) |
| Appearance | Liquid |
| Specific Gravity | 0.928 |
| Color | Clear colorless |
| Merck | 14,285 |
| BRN | 1742050 |
| Storage Condition | 2-8°C |
| Explosive Limit | 2.1-13.0%(V) |
| Refractive Index | n20/D 1.404(lit.) |
| Physical and Chemical Properties | Appearance: liquid or solid crystals. aroma: fresh bergamot and white-brown orange-type fruit aroma, with pine-like woody aroma notes. Boiling Point: Melting point 35 ℃ flash point (closed)>90 ℃ refractive index ND20:1.450-1.455 density d420:0.938-0.946 can be used in the formula of daily chemical essence; Mainly used in soap essence and cosmetic essence formula. |
| Use | Used as an organic intermediate |
2-Propenyl ester of acetic acid - Risk and Safety
| Risk Codes | R11 - Highly Flammable R21 - Harmful in contact with skin R23/25 - Toxic by inhalation and if swallowed. R36 - Irritating to the eyes R25 - Toxic if swallowed |
| 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. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S27 - Take off immediately all contaminated clothing. |
| UN IDs | UN 2333 3/PG 2 |
| WGK Germany | 3 |
| RTECS | AF1750000 |
| TSCA | Yes |
| HS Code | 29153990 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50: 0.13 g/kg orally in rats; 1.1 ml/kg dermally in rabbits (Smyth); LD50 in rats, mice (mg/kg): 142, 170 orally (Jenner) |
2-Propenyl ester of acetic acid - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| uses | allyl acetate is used to produce important organic synthetic raw materials such as glycerin, and to synthesize resins and adhesives. An intermediate for the production of glycerol. for organic synthesis. Used as an organic intermediate |
| Production method | The reaction of propylene, acetic acid and oxygen in the presence of water vapor, using palladium acetate as a catalyst, carries out gas phase reaction at 50-250 ℃. When the reaction temperature is 160 ℃, the empty-time yield of allyl acetate is 217g/L catalyst h, the conversion rate of acetic acid is 99%, and the selectivity of allyl acetate is 94% by propylene. This reaction can also be prepared from propylene, acetic acid and oxygen in the presence of carbon dioxide with palladium as catalyst (palladium acetate, cadmium acetate and potassium acetate) at 190 ℃ and 0.78MPa, with a yield of 91%. |
| category | flammable liquid |
| toxicity classification | highly toxic |
| acute toxicity | oral-rat LD50: 130 mg/kg |
| stimulation data | skin-rabbit 10 mg/24 hours mild; Eye-rabbit 100 mg/24 hours moderate |
| explosive hazard characteristics | blastable when mixed with air |
| flammability hazard characteristics | flammability in case of open flame, high temperature and oxidant; Combustion produces stimulating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; Store separately from oxidant; Not suitable for long storage to prevent polymerization |
| fire extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 fire extinguishing agent |
| occupational standard | STEL 2 mg/m3 |
| auto-ignition temperature | 705 °F |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:04:16
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