ISO-RPOPENYL ACETATE
Isopropenyl acetate
CAS: 108-22-5
Molecular Formula: C5H8O2
ISO-RPOPENYL ACETATE - Names and Identifiers
| Name | Isopropenyl acetate |
| Synonyms | Isopropenyl acetate ISO-RPOPENYL ACETATE 1-PROPEN-2-OL ACETATE 1-METHYLVINYL ACETATE 1-Propen-2-yl acetate prop-2-en-1-yl acetate prop-1-en-2-yl acetate 1-Acetoxy-1-methylethylene ACETIC ACID ISOPROPENYL ESTER Acetic acid isopropenyl ester ISOPROPENYL ACETATE, WACKER QUALITY |
| CAS | 108-22-5 |
| EINECS | 203-562-7 |
| InChI | InChI=1/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3 |
ISO-RPOPENYL ACETATE - Physico-chemical Properties
| Molecular Formula | C5H8O2 |
| Molar Mass | 100.12 |
| Density | 0.922 g/mL at 20 °C0.909 g/mL at 25 °C (lit.) |
| Melting Point | -93 °C |
| Boling Point | 94 °C (lit.) |
| Flash Point | 66°F |
| JECFA Number | 1835 |
| Water Solubility | 34 g/L (20 ºC) |
| Solubility | 34g/l |
| Vapor Presure | 23 hPa (20 °C) |
| Appearance | Liquid |
| Color | Clear colorless to very slightly yellow |
| Merck | 14,5203 |
| BRN | 1280347 |
| PH | 3 (34g/l, H2O, 20℃) |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 1.8%(V) |
| Refractive Index | n20/D 1.401(lit.) |
| Physical and Chemical Properties | Density 0.92 melting point -93°C boiling point 94-97°C refractive index 1.4-1.402 flash point 10°C water-soluble 34g/L (20°C) |
| Use | In medicine, it is mainly used as a refined solvent for the skin easy series of products |
ISO-RPOPENYL ACETATE - Risk and Safety
| Hazard Symbols | F - Flammable |
| Risk Codes | 11 - Highly Flammable |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. S29 - Do not empty into drains. S33 - Take precautionary measures against static discharges. |
| UN IDs | UN 2403 3/PG 2 |
| WGK Germany | 1 |
| RTECS | UD4200000 |
| FLUKA BRAND F CODES | 10-21 |
| TSCA | Yes |
| HS Code | 2915 39 00 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 3.0 g/kg (Smyth) |
ISO-RPOPENYL ACETATE - Reference Information
| FEMA | 4152 | ISOPROPENYL ACETATE |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| content analysis | take 1mol/L potassium hydroxide solution 25.0 Mi, and put it in an insulated pressure-resistant bottle, which should be fixed, explosion-proof device, add isopropyl alcohol 10 ml and short glass rod several segments. About 1.3g of a sample, which was contained in a sealed glass ampoule and accurately weighed, was added to a pressure-resistant bottle. The vial was capped and the ampoules were crushed by vigorous shaking and maintained at room temperature for 30min. The stopper was removed, phenolphthalein test solution (TS-167) was added several drops, and the solution was titrated with 0.5mol/L sulfuric acid until the pink color disappeared. Blank titration was performed at the same time. Per Mi. 0.5mol/L. Sulfuric acid corresponds to 51.07 mg of isopropyl acetate (C5H10O2). Or according to Gas chromatography (GT-10-4) using non-polar column method. |
| toxicity | GRAS(FEMA). Not specified by ADI (FA0/WHO,1994). LDs. 3000 mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): As a flavorant: Soft drink 16; Cold drink 17; Candy 58; baked goods 75. Moderate limits (FDA § 172.515,2000). |
| Use | GB 2760-1996 specifies the permitted use of flavorants. It is mainly used as a solvent for the preparation of rum flavor and fruit flavor. It can also be used as an extraction solvent. In medicine, it is mainly used as a refined solvent for fexiang series products used in organic synthesis. acetylation and alkylation agents for use as Analytical reagents enols. |
| production method | The ketene gas obtained by the decomposition of acetic acid or acetone is subjected to the addition reaction with the acetosulfonyl acetic acid-acetone solution, the addition liquid is subjected to crude distillation and fractionation to obtain isopropenyl acetate. It is obtained by direct esterification of isopropanol with acetic acid in the presence of sulfuric acid as catalyst. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 3000 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 |
| flammability hazard characteristics | open flame, combustible heat and oxidant; Combustion emission stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature, separate from oxidants and acids |
| extinguishing agent | water mist, foam, sand, carbon dioxide, 1211 extinguishing agent |
| Occupational Standard | SEL 20 mg/m3 |
| autoignition temperature | 439°C DIN 51794 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:11:58
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