ChemicalBook > Product Catalog > Chemical Reagents > Organic reagents > fatty acid > 3,3-Dimethylacrylic acid
3,3-Dimethylacrylic acid
- Product Name:3,3-Dimethylacrylic acid
- CAS:541-47-9
- MF:C5H8O2
- MW:100.12
- EINECS:208-782-7
- Mol File:541-47-9.mol
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3,3-Dimethylacrylic acid Chemical Properties
- Melting point:65-70 °C(lit.)
- Boiling point:194-195 °C(lit.)
- Density 0,969 g/cm3
- FEMA 3187 | 3-METHYLCROTONIC ACID
- refractive index 1.4226 (estimate)
- Flash point:93°C
- storage temp. -20°C
- pkapK1:5.12 (25°C)
- Water Solubility Soluble in water, and methanol.
- JECFA Number1204
- BRN 1720305
- InChIKeyYYPNJNDODFVZLE-UHFFFAOYSA-N
- CAS DataBase Reference541-47-9(CAS DataBase Reference)
- NIST Chemistry Reference2-Butenoic acid, 3-methyl-(541-47-9)
- EPA Substance Registry System2-Butenoic acid, 3-methyl- (541-47-9)
- Hazard Codes Xi,C
- Risk Statements 37/38-41-34
- Safety Statements 26-36/37/39-45-27
- RIDADR 3261
- WGK Germany 1
- RTECS GQ5425000
- F 21
- TSCA Yes
- HazardClass 8
- PackingGroup III
- HS Code 29161900
- Language:EnglishProvider:3-Methylcrotonic acid
- Language:EnglishProvider:SigmaAldrich
- Language:EnglishProvider:ALFA
3,3-Dimethylacrylic acid Usage And Synthesis
- DescriptionMay 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 Properties3-Methylcrotonic acid has green, phenolic, dairy aroma
- Chemical PropertiesWhite to brown crystal
- OccurrenceReported 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.
- DefinitionChEBI: A methyl-branched fatty acid that is but-2-enoic acid bearing a methyl substituent at position 3.
- PreparationBy 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/ja01177a079
Organic Syntheses, Coll. Vol. 3, p. 302, 1955
Tetrahedron Letters, 36, p. 2469, 1995 DOI: 10.1016/0040-4039(95)00285-K - Purification MethodsCrystallise the acid from hot water or pet ether (b 60-80o). [Beilstein 2 IV 1555.]
3,3-Dimethylacrylic acid Preparation Products And Raw materials
- Preparation ProductsMethyl 3-methyl-2-butenoate
- Raw materialsSodium bisulfitePOTASSIUM HYPOCHLORITE
- Citric acid tiglic acid Dimethyl sulfoxide Folic acid Methyl acrylate Methyl bromide Thiophanate-methyl Butyl acrylate Poly(acrylic acid) Methylparaben Hyaluronic acid Bensulfuron methyl N,N-Dimethylformamide Methyl propiolate Ascoric Acid Parathion-methyl Acrylic acid Ethyl 2-(Chlorosulfonyl)acetate
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