Arbutin

CAS	497-76-7
Structure
Synonyms	4-Hydroxyphenyl-beta-D-glucopyranosid
IUPAC Name	(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
Molecular Weight	272.25
Molecular Formula	C12H16O7
Canonical SMILES	C1=CC(=CC=C1O)OC2C(C(C(C(O2)CO)O)O)O
InChI	InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1
InChI Key	BJRNKVDFDLYUGJ-RMPHRYRLSA-N
Boiling Point	375.31 °C
Melting Point	195-198 °C
Flash Point	293.4 °C
Purity	98%
Density	1.3582 g/cm³
Refractive Index	-65.5 ° (C=4, H₂O)
pKa	10.10±0.15(Predicted)
Solubility in Water	10-15 g/100mL (20 ºC)
Appearance	Solid