3,3-Dimethylacrylic acid
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
- 541-47-9
- 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
- Flash point:
- 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
- Odor
- at 1.00 % in propylene glycol. green phenolic dairy
- Odor Type
- phenolic
- Water Solubility
- Soluble in water, and methanol.
- JECFA Number
- 1204
- BRN
- 1720305
- InChIKey
- YYPNJNDODFVZLE-UHFFFAOYSA-N
- LogP
- 1.35
- 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
- Language:English Provider:3-Methylcrotonic acid
- Language:English Provider:SigmaAldrich
- Language:English Provider:ALFA
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/ja01177a079
Organic Syntheses, Coll. Vol. 3, p. 302, 1955
Tetrahedron 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
Preparation Products
Raw materials
3,3-Dimethylacrylic acid Supplier
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