English name: Paeonol
CAS number: 552-41-0
Molecular formula: C9H10O3
Molecular weight: 166.17
EINECS number: 209-012-2
MDL No. : MFCD00008730
Stats
Melting point 48-50 °C(lit.)
Boiling point 154 °C / 20mmHg
Density 1.3102
Refractive index 1.5452 (estimate)
Flash point >230 °F
Storage conditions 2-8°C
Solubility Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
Acidity coefficient (pKa)9.79±0.10(Predicted)
Morphology Crystalline Powder
The color is White to beige
BRN1282794
InChIInChI = 1 s/C9H10O3 / c1-6 (10) the 8-4-3-7 (12-2) 5-9 (8) 11 / h3-5, 11 H, 1-2 h3
InChIKeyUILPJVPSNHJFIK-UHFFFAOYSA-N
SMILESC(=O)(C1=CC=C(OC)C=C1O)C
LogP1.980
Safety information
GHS hazard pictograms GHS Hazard pictograms
GHS07
Warning word
Danger Description H302+H312+H332-H315-H319-H335
Precautions P261-P264-P280-P302+P352+P312-P304+P340+P312-P337+P313
Danger category code 20/21/22-36/37/38
Safety Instructions 26-28-36/37/39-45
WGK Germany3
RTECS number RT1215000
Hazard NoteIrritant
Customs Code 29145090
Toxicity LD50 orl-mus: 3430 mg/kg YKKZAJ 89,120,69
China
