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
FEMA	3187 \| 3-METHYLCROTONIC ACID
refractive index	1.4226 (estimate)
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
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

MSDS Information

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

Raw materials	Sodium bisulfite-->POTASSIUM HYPOCHLORITE-->Cyclopropanecarboxylic acid, 3-(2-chloroethenyl)-2,2-dimethyl--->2-(4-fluoro-3-phenoxyphenyl)-2-hydroxyethanenitrile-->4-fluoro-3-phenoxy benzoic acid-->4-Fluoro-3-phenoxybenzaldehyde
Preparation Products	Methyl 3-methyl-2-butenoate-->Ciclopirox ethanolamine-->4,6-Dimethyl-2-pyrone-->2-(3-methylbut-2-enoylamino)acetic acid-->4-METHYL-2(5H)-FURANONE-->1,1-dimethylindan-5,6-diol-->2-BROMO-3-METHOXY-3-METHYLBUTANOIC ACID

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