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Esculin Structure

Esculin

Chemical Properties

Melting point 203 °C
alpha  -88 º (c=2,dioxane/water1:1)
Boiling point 396.1°C (rough estimate)
Density  0.791 g/mL at 20 °C
vapor pressure  0Pa at 25℃
refractive index  -79 ° (C=2.4, 50% Dioxane)
Flash point 15 °C
storage temp.  2-8°C
solubility  methanol: 50 mg/mL hot, clear to very faintly turbid, yellow-green fluoresc.
form  Liquid
pka 7.00±0.20(Predicted)
color  Clear
optical activity [α]20/D 41±2°, c = 5% in pyridine
Water Solubility  MODERATELY SOLUBLE
Merck  3698
Stability Stable. Incompatible with strong oxidizing agents.
Cosmetics Ingredients Functions TONIC
LIGHT STABILIZER
InChI 1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2/t10-,12-,13+,14-,15-;/m1./s1
InChIKey YRABYCJKUBFWQY-FHXAZYNBSA-N
SMILES O.OC[C@H]1O[C@@H](Oc2cc3C=CC(=O)Oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O || O.OC[C@H]1O[C@@H](Oc2cc3C=CC(=O)Oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O
LogP -1.307 (est)
CAS DataBase Reference 531-75-9(CAS DataBase Reference)
NIST Chemistry Reference 7-Hydroxy-2-oxo-2h-chromen-6-yl hexopyranoside(531-75-9)
EPA Substance Registry System Esculin (531-75-9)

Safety Information

Hazard Codes  F,C,Xi
Risk Statements  11-20/21/22-34-68/20/21/22-36/37/38
Safety Statements  26-36/37/39-45-24/25-36/37-16
RIDADR  UN 2924 3/PG 2
WGK Germany  3
RTECS  DJ3085000
3-10-23
TSCA  TSCA listed
HS Code  29389090
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

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