4-Pentensαure
pent-4-enoic acid
CAS: 591-80-0
Molecular Formula: C5H8O2
4-Pentensαure - Names and Identifiers
| Name | pent-4-enoic acid |
| Synonyms | 4 PA 4-Pentensαure pent-4-enoate AUYLACETICACID 4-Pentenoic Acid Allylacetic acid pent-4-enoic acid Pent-4-enoic acid 3-Vinylpropionic acid, Allylacetic acid |
| CAS | 591-80-0 |
| EINECS | 209-732-7 |
| InChI | InChI=1/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)/p-1 |
| InChIKey | HVAMZGADVCBITI-UHFFFAOYSA-N |
4-Pentensαure - Physico-chemical Properties
| Molecular Formula | C5H8O2 |
| Molar Mass | 100.12 |
| Density | 0.981 g/mL at 25 °C (lit.) |
| Melting Point | -22.5 °C (lit.) |
| Boling Point | 83-84 °C/12 mmHg (lit.) |
| Flash Point | 193°F |
| JECFA Number | 314 |
| Water Solubility | Soluble in alcohol, Slightly soluble in water |
| Vapor Presure | 0.267mmHg at 25°C |
| Vapor Density | >1 (vs air) |
| Appearance | Liquid |
| Specific Gravity | 0.981 |
| Color | Clear colorless to light yellow |
| BRN | 1633696 |
| pKa | pK1:4.677 (25°C) |
| Storage Condition | 2-8°C |
| Explosive Limit | 1.58%(V) |
| Refractive Index | n20/D 1.428(lit.) |
| Physical and Chemical Properties | Colorless transparent liquid |
4-Pentensαure - Risk and Safety
| Risk Codes | R34 - Causes burns R22 - Harmful if swallowed |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 3261 8/PG 2 |
| WGK Germany | 3 |
| RTECS | SC4751000 |
| FLUKA BRAND F CODES | 8-10-23 |
| TSCA | T |
| HS Code | 29161980 |
| Hazard Class | 8 |
| Packing Group | III |
| Toxicity | LD50 oral in rat: 470mg/kg |
4-Pentensαure - Reference Information
| FEMA | 2843 | 4-PENTENOIC ACID |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | 4-pentenoic acid is a widely used fine chemical intermediate, mainly used in the fields of medicine, fiber and food. It has cheese-like aroma and fruity aroma. The recommended dosage in food is 1.0 mg/kg in beverage, 2.0 mg/kg in ice cream and 5.0 mg/kg in candy. For example, as an additive to food cheese, it has been widely used to strengthen the unique taste of cheese. 4-pentenoic acid and 4-pentenoic acid esters are also used as pharmaceutically active substances that trigger hypoglycemia. |
| preparation | 78.8g 4-pentenal in 370ml acetonitrile is filled in a 1000ml stirred flask, 64.7g of hydrogen peroxide aqueous solution (50 wt%) and 107.4g of sodium chlorite solution (concentration about 80%) are added drop by drop at 25 ℃ to 40 ℃, the single-phase reaction mixture is stirred at 25 ℃ for 1.5h, and then, the mixture is extracted with dichloromethane for 3 times, the organic phase is collected, steamed by rotation, and purified by distillation to obtain 4-pentenoic acid. The reaction yield is about 26%. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drink 1.0; Cold drinks, margarine, 2.0; Candy, baked goods, 5.0. FDA(§ 172.515,2000): Moderate limit. |
Last Update：2024-04-09 15:16:46
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