41743-44-6

Name FERUTININ
CAS 41743-44-6
Molecular Formula C22H30O4
MDL Number MFCD04037015
Molecular Weight 358.47
MOL File 41743-44-6.mol
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Chemical Properties

Boiling point  489.0±45.0 °C(Predicted)
density  1.16±0.1 g/cm3(Predicted)
storage temp.  Store at -20°C
solubility  DMSO: Soluble
form  White to off-white solid
pka 8.12±0.15(Predicted)
color  White to off-white
InChI 1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1
InChIKey CYSHNJQMYORNJI-YUVXSKOASA-N
SMILES CC1=CC[C@](CC[C@@]2(O)C(C)C)(C)[C@@]2([H])[C@@H](OC(C3=CC=C(O)C=C3)=O)C1
LogP 5.720 (est)

Safety Data

Hazard statements  H413
Precautionary statements  P273-P501
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 4

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