| Identification | More | [Name]
3,3-Dimethylacrylic acid | [CAS]
541-47-9 | [Synonyms]
3,3-DIMETHTYLACRYLIC ACID
3,3-DIMETHYLACRYLIC ACID
3-METHYL-2-BUTENOIC ACID
3-METHYLBUT-2-ENOIC ACID
3-METHYLCROTONIC ACID
AURORA 22781
BETA,BETA-DIMETHYLACRYLIC ACID
B-METHYLCROTONIC ACID
FEMA 3187
RARECHEM AL BE 0210
SENECIOIC ACID
(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
beta,beta-Dimethacrylic acid | [EINECS(EC#)]
208-782-7 | [Molecular Formula]
C5H8O2 | [MDL Number]
MFCD00004366 | [Molecular Weight]
100.12 | [MOL File]
541-47-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
65-70 °C (lit.) | [Boiling point ]
194-195 °C (lit.) | [density ]
0,969 g/cm3 | [FEMA ]
3187 | [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]
541-47-9(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,C | [Risk Statements ]
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R34:Causes burns. | [Safety Statements ]
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 label where possible) .
S27:Take off immediately all contaminated clothing . | [WGK Germany ]
1
| [RTECS ]
GQ5425000
| [F ]
21 | [TSCA ]
Yes | [HS Code ]
29161900 |
| Hazard Information | Back Directory | [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.] |
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