SHIKONIN CAS 517-89-5

Shikonin Basic information

Product Name:

Shikonin

CAS:

517-89-5

MF:

C16H16O5

MW:

288.3

EINECS:

Mol File:

517-89-5.mol

Shikonin Chemical Properties

Melting point

148℃

Boiling point

567.4±50.0 °C(Predicted)

density

1.373±0.06 g/cm3(Predicted)

storage temp.

-20°C

solubility

DMSO : ≥ 31 mg/mL (107.53 mM);

pka

7.34±0.20(Predicted)

form

Red crystalline solid.

color

Brown

Henry's Law Constant

1.2×109 mol/(m3Pa) at 25℃, HSDB (2015)

Major Application

food and beverages

Cosmetics Ingredients Functions

COLORANT

SKIN CONDITIONING - MISCELLANEOUS

InChI

InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1

InChIKey

NEZONWMXZKDMKF-SNVBAGLBSA-N

SMILES

C1(=O)C2=C(C(O)=CC=C2O)C(=O)C=C1[C@H](O)C/C=C(\C)/C

LogP

4.350 (est)

CAS DataBase Reference

517-89-5(CAS DataBase Reference)