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1078-61-1

Name 3-(3,4-DIHYDROXYPHENYL)PROPIONIC ACID
CAS 1078-61-1
EINECS(EC#) 214-083-8
Molecular Formula C9H10O4
MDL Number MFCD00002776
Molecular Weight 182.17
MOL File 1078-61-1.mol

Chemical Properties

Melting point  136-139 °C(lit.)
Boiling point  418℃
density  1.398
Fp  220℃
storage temp.  Inert atmosphere,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 4.75±0.10(Predicted)
color  Pale Beige to Pale Brown
Water Solubility  Slightly soluble in water.
BRN  2213449
InChI InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
InChIKey DZAUWHJDUNRCTF-UHFFFAOYSA-N
SMILES C1(CCC(O)=O)=CC=C(O)C(O)=C1
LogP 0.115 (est)
CAS DataBase Reference 1078-61-1(CAS DataBase Reference)

Safety Data

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 .
WGK Germany  3
RTECS  MW5143500

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