| 3,3-Dimethylacrylic acid Basic information |
| Product Name: | 3,3-Dimethylacrylic acid |
| Synonyms: | (CH3)2C=CHCOOH;2-Butenoicacid,3-methyl-;3,3-Dimethylacrylsαure;3-methyl-2-butenoicaci;3-Methyl-2-butensαure;3-methyl-buten-2-oic-acid;3-methyl-crotonicaci;3-Methylcrotonsαure |
| CAS: | 541-47-9 |
| MF: | C5H8O2 |
| MW: | 100.12 |
| EINECS: | 208-782-7 |
| Product Categories: | Building Blocks;C1 to C5;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;Organic acids;acid;fine chemicals;bc0001 |
| Mol File: | 541-47-9.mol |
| 3,3-Dimethylacrylic acid Chemical Properties |
| Melting point | 65-70 °C (lit.) |
| Boiling point | 194-195 °C (lit.) |
| density | 0,969 g/cm3 |
| refractive index | 1.4226 (estimate) |
| FEMA | 3187 | 3-METHYLCROTONIC ACID |
| Fp | 93°C |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | pK1:5.12 (25°C) |
| color | Off-White to Pale Orange |
| Water Solubility | Soluble in water, and methanol. |
| JECFA Number | 1204 |
| BRN | 1720305 |
| InChIKey | YYPNJNDODFVZLE-UHFFFAOYSA-N |
| CAS DataBase Reference | 541-47-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Butenoic acid, 3-methyl-(541-47-9) |
| EPA Substance Registry System | 2-Butenoic acid, 3-methyl- (541-47-9) |
| Safety Information |
| Hazard Codes | Xi,C |
| Risk Statements | 37/38-41-34 |
| Safety Statements | 26-36/37/39-45-27 |
| WGK Germany | 1 |
| RTECS | GQ5425000 |
| F | 21 |
| TSCA | Yes |
| HS Code | 29161900 |
| MSDS Information |
| Provider | Language |
|---|---|
| 3-Methylcrotonic acid | English |
| SigmaAldrich | English |
| ALFA | English |
| 3,3-Dimethylacrylic acid Usage And Synthesis |
| Description | May be prepared by the action of alkalis or bases on the ester of α-bromoisovaleric acid; by condensation of acetone with malonic acid or bromoacetic ester; by oxidation of mesityl oxide with sodium hypochlorite. |
| Chemical Properties | 3-Methylcrotonic acid has green, phenolic, dairy aroma |
| Chemical Properties | White to brown crystal |
| Occurrence | Reported found in the rhizomes of Senecio kaempferi Seib.; the corresponding ester occurs naturally in waste wort. Also reported found in raspberries, wheat bread, cocoa, coffee, black tea, Arctic bramble, and green and roasted maté. |
| Uses | Chemical Intermediates. |
| Definition | ChEBI: A methyl-branched fatty acid that is but-2-enoic acid bearing a methyl substituent at position 3. |
| Preparation | By the action of alkalis or bases on the ester of α-bromoisovaleric acid; by condensation of acetone with malonic acid or bromoacetic ester; by oxidation of mesityl oxide with sodium hypochlorite. |
| Synthesis Reference(s) | Journal of the American Chemical Society, 71, p. 3214, 1949 DOI: 10.1021/ja01177a079Organic Syntheses, Coll. Vol. 3, p. 302, 1955Tetrahedron Letters, 36, p. 2469, 1995 DOI: 10.1016/0040-4039(95)00285-K |
| Purification Methods | Crystallise the acid from hot water or pet ether (b 60-80o). [Beilstein 2 IV 1555.] |
| 3,3-Dimethylacrylic acid Preparation Products And Raw materials |
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