3-Benzoylacrylic acid

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Names

[ CAS No. ]:
583-06-2

[ Name ]:
3-Benzoylacrylic acid

[Synonym ]:
EINECS 209-496-5
Benzoylacrylic acid
3-Benzoylacrylic acid
4-Oxo-4-phenyl-2-butenoic acid
4-oxo-4-phenyl-but-2-enoic acid
Crotonic acid,4-oxo-4-phenyl
2-Butenoic acid,4-oxo-4-phenyl
Acrylic acid,3-benzoyl
MFCD00014015

Chemical & Physical Properties

[ Density]:
1.238 g/cm3

[ Boiling Point ]:
333.9ºC at 760 mmHg

[ Melting Point ]:
94-97ºC(lit.)

[ Molecular Formula ]:
C10H8O3

[ Molecular Weight ]:
176.16900

[ Flash Point ]:
170ºC

[ Exact Mass ]:
176.04700

[ PSA ]:
54.37000

[ LogP ]:
1.51010

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EM9259050
CHEMICAL NAME :
2-Butenoic acid, 4-oxo-4-phenyl-
CAS REGISTRY NUMBER :
583-06-2
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H8-O3
MOLECULAR WEIGHT :
176.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4867737

Safety Information

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
26-36

[ RIDADR ]:
UN 2811 6

[ WGK Germany ]:
3

[ RTECS ]:
EM9259050

[ Hazard Class ]:
6.0

[ HS Code ]:
2918300090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Maleic anhydride
  • benzene
  • 2-HYDROXY-4-OXO-4-PHENYLBUTANOIC ACID
  • 4,4-Dimethoxy-4-phenyl-crotonsaeure-aethylester
  • 2,2-dimethoxy phenylacetaldehyde
  • 1,4-Cyclohexadiene,1-bromo-(9CI)
  • Ethyl trans-3-Benzoylacrylate
  • 4-Phenylbut-3-enoic acid
  • Benzenebutanoic acid, b-bromo-g-oxo-

DownStream

  • 2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
  • (E)-Chalcone
  • 3-Benzoylpropionic acid
  • 1,2-DIBENZOYLETHANE
  • [6-Phenyl-2,2'-bipyridine]-4-carboxylic acid
  • Glycolic acid
  • Oxalic acid
  • Acetophenone
  • Glyoxylic acid
  • methyl 4-(3-oxo-3-phenyl-1-propenyl) benzoate

Customs

[ HS Code ]: 2918300090

[ Summary ]:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Related Compounds

  • (E)-3-BENZOYLACRYLIC ACID
  • (E)-3-BENZOYLACRYLIC ACID
  • trans-3-Benzoylacrylic Acid Ethyl Ester
  • 3-Benzoylacrylic acid trimethylsilyl ester
  • 3-(4-octadecyl)benzoylacrylic acid
  • 3-benzoyl-2-propenoic acid
  • N-[(4-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine
  • 2-Amino-3-(thian-3-yl)propan-1-ol
  • 3-Amino-2-(thian-3-yl)propan-1-ol
  • 2-Amino-3-(1-methylpiperidin-4-yl)propan-1-ol
  • {1-Aminospiro[2.2]pentan-1-yl}methanol
  • 2-Amino-2-(oxolan-3-yl)propan-1-ol
  • 4-(Allyloxy)-5-bromo-2-chlorobenzonitrile
  • Methyl 4-(allyloxy)-5-bromo-2-chlorobenzoate
  • 1-Bromo-4-chloro-5-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl]-2-(2-propen-1-yloxy)benzene
  • (4-(Allyloxy)-5-bromo-2-chlorophenyl)methanol