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