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583-06-2

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583-06-2 Structure

583-06-2 Structure
IdentificationMore
[Name]

3-BENZOYLACRYLIC ACID
[CAS]

583-06-2
[Synonyms]

(2E)-4-OXO-4-PHENYLBUT-2-ENOIC ACID
3-BENZOYLACRYLIC ACID
4-OXO-4-PHENYL-2-BUTENOIC ACID
4-OXO-4-PHENYL-BUT-2-ENOIC ACID
AKOS BBS-00002157
AURORA 23287
BENZOYL ACRYLIC ACID
BETA-BENZOYL ACRYLIC ACID
(E)-4-OXO-4-PHENYL-2-BUTENOIC ACID
OTAVA-BB BB7110952594
TIMTEC-BB SBB007952
TRANS-3-BENZOYLACRYLIC ACID
(2E)-4-Oxo-4-phenyl-2-butenoic acid
3-benzoyl-acrylicaci
4-oxo-4-phenyl-2-butenoicaci
4-phenyl-4-oxo-2-butenoicacid
Acrylic acid, 3-benzoyl-
beta-Benzoylacrylsaeure
Crotonic acid, 4-oxo-4-phenyl-
3-Benzoylacrylic acid, 97+%
[EINECS(EC#)]

209-496-5
[Molecular Formula]

C10H8O3
[MDL Number]

MFCD00014015
[Molecular Weight]

176.17
[MOL File]

583-06-2.mol
Chemical PropertiesBack Directory
[Appearance]

YELLOW TO YELLOW-BROWN CRYST. NEEDLES OR POWDER
[Melting point ]

94-97 °C(lit.)
[Boiling point ]

267.77°C (rough estimate)
[density ]

1.1958 (rough estimate)
[refractive index ]

1.5036 (estimate)
[storage temp. ]

2-8°C
[pka]

3.43±0.10(Predicted)
[Water Solubility ]

Insoluble in water.
[BRN ]

1817876
[CAS DataBase Reference]

583-06-2(CAS DataBase Reference)
[EPA Substance Registry System]

2-Butenoic acid, 4-oxo-4-phenyl- (583-06-2)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2811 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

EM9259050
[TSCA ]

Yes
[HazardClass ]

6.1
[HazardClass ]

IRRITANT
[HS Code ]

2916110090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Maleic anhydride-->2-Butenoic acid, 4-oxo-4-phenyl-, methyl ester, (2Z)--->Benzenebutanoic acid, γ-oxo-α-[[(1R)-1-phenylethyl]amino]-, (αR)--->1,4-Cyclohexadiene,1-bromo-(9CI)-->2-Butenoic acid, 4-hydroxy-4-phenyl-, (2E)--->Benzoyl lactic acid-->3-Bromo-4-oxo-4-phenylbutanoic acid-->trans-Styrylacetic acid-->Glyoxylic acid-->Benzene-->Acetophenone
[Preparation Products]

gamma-Phenyl-gamma-butyrolactone
Hazard InformationBack Directory
[Chemical Properties]

YELLOW TO YELLOW-BROWN CRYST. NEEDLES OR POWDER
[Uses]

2-Butenoic acid, 4-oxo-4-phenyl- could react with morpholine, and obtain the 2-morpholin-4-yl-4-oxo-4-phenyl-butyric acid. This reaction needs the solvent of toluene, ethanol.
Spectrum DetailBack Directory
[Spectrum Detail]

3-BENZOYLACRYLIC ACID(583-06-2)MS
3-BENZOYLACRYLIC ACID(583-06-2)1HNMR
3-BENZOYLACRYLIC ACID(583-06-2)13CNMR
3-BENZOYLACRYLIC ACID(583-06-2)IR1
3-BENZOYLACRYLIC ACID(583-06-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Benzoylacrylic acid, 97%(583-06-2)
[Alfa Aesar]

3-Benzoylacrylic acid, 97%(583-06-2)
[Sigma Aldrich]

583-06-2(sigmaaldrich)
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