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3-Benzoylpropionic acid Structure

3-Benzoylpropionic acid

  • Product Name3-Benzoylpropionic acid
  • CAS2051-95-8
  • CBNumberCB4424200
  • MFC10H10O3
  • MW178.18
  • EINECS218-135-0
  • MDL NumberMFCD00002792
  • MOL File2051-95-8.mol

Chemical Properties

Melting point: 114-117 °C(lit.)
Boiling point: 270.41°C (rough estimate)
Density  1.1601 (rough estimate)
refractive index  1.5370 (estimate)
storage temp.  2-8°C
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka 4.53±0.17(Predicted)
form  Crystalline Powder
color  White to cream
BRN  639757
InChI InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)
InChIKey KMQLIDDEQAJAGJ-UHFFFAOYSA-N
SMILES C1C=C(C(=O)CCC(=O)O)C=CC=1
CAS DataBase Reference 2051-95-8(CAS DataBase Reference)
EPA Substance Registry System Benzenebutanoic acid, .gamma.-oxo- (2051-95-8)

Safety

Symbol(GHS)  Exclamation Mark (GHS07)
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P305+P351+P338
target organs Respiratory system
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xi,Xn
Risk Statements  36/37/38-20/21/22
Safety Statements  26-36
WGK Germany  3
TSCA  TSCA listed
HS Code  2918300090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
0
2 0

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3-Benzoylpropionic acid Chemical Properties,Usage,Production

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