3-methyl-2-butenoicaci
3,3-Dimethylacrylic acid
CAS: 541-47-9
Molecular Formula: C5H8O2
3-methyl-2-butenoicaci - Names and Identifiers
| Name | 3,3-Dimethylacrylic acid |
| Synonyms | Senecioic acid Methylcrotonicacid 3-Methylcrotonsαure 3-methyl-crotonicaci 3-methylbut-2-enoate 3-Methyl-2-butensαure 3-Methylcrotonic acid 3-methyl-2-butenoicaci 3,3-Dimethylacrylsαure 2-Butenoicacid,3-methyl- 3,3-Dimethylacrylic acid 3-Methyl-2-butenoic acid 3-methylbut-2-enoic acid 3-methyl-buten-2-oic-acid cis-3-Methyl-2-butenoic acid 3-Methylcrotonic acid,(3,3-Dimethylactrylic acid |
| CAS | 541-47-9 |
| EINECS | 208-782-7 |
| InChI | InChI=1/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7)/p-1 |
| InChIKey | YYPNJNDODFVZLE-UHFFFAOYSA-N |
3-methyl-2-butenoicaci - Physico-chemical Properties
| Molecular Formula | C5H8O2 |
| Molar Mass | 100.12 |
| Density | 0,969 g/cm3 |
| Melting Point | 65-70 °C (lit.) |
| Boling Point | 194-195 °C (lit.) |
| Flash Point | 93°C |
| JECFA Number | 1204 |
| Water Solubility | Soluble in water, and methanol. |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.19mmHg at 25°C |
| Appearance | White crystal |
| Color | Off-White to Pale Orange |
| BRN | 1720305 |
| pKa | pK1:5.12 (25°C) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.4226 (estimate) |
| MDL | MFCD00004366 |
| Use | For coatings, etc |
3-methyl-2-butenoicaci - Risk and Safety
| Risk Codes | R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R34 - Causes burns |
| 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.) S27 - Take off immediately all contaminated clothing. |
| WGK Germany | 1 |
| RTECS | GQ5425000 |
| FLUKA BRAND F CODES | 21 |
| TSCA | Yes |
| HS Code | 29161900 |
3-methyl-2-butenoicaci - Reference Information
| FEMA | 3187 | 3-METHYLCROTONIC ACID |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| properties | white prismatic crystal, melting point 70 ℃, boiling point 194 ℃, soluble in water and most organic solvents. |
| Uses | 3, 3-dimethacrylic acid is widely used in medicines, pesticides, fragrances and surfactants. Fragrances are used in washing products to remove dandruff and relieve itching. It is non-toxic and non-irritating. As a pesticide and pharmaceutical intermediate, it plays an important role in drug synthesis and pesticide synthesis. For example, it is used as a raw material for the synthesis of pyrethrin by Martel method, the pyrethroid raw materials synthesize excellent insecticides with high efficiency, low toxicity and no resistance. Used for coatings, etc. Organic synthesis intermediates. |
| Biological activity | Senecioic acid (3-Methylcrotonic acid, 3,3-Dimethylacrylic acid, β-Methylcrotonic Acid) is an unsaturated fatty acid, which is found in pheromones of the genus mealybug, and also appears in the urine of patients with dimethacrylic acid urine. |
| Production method | Isopropylidene acetone and potassium hypochlorite aqueous solution react in dioxane, and the reaction exotherm refluxes the generated chloroform. After the reaction, add sodium bisulfite and excess hypochlorite. 3-methyl -2-butenoic acid was obtained by acidification with sulfuric acid, extraction with ether, and distillation under reduced pressure from the extract. Yield 49-53%. |
Last Update：2024-04-09 15:16:51
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