531-75-9

Name Esculin
CAS 531-75-9
EINECS(EC#) 208-517-5
Molecular Formula C15H16O9
MDL Number MFCD00006879
Molecular Weight 340.28
MOL File 531-75-9.mol
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Chemical Properties

Appearance White to nearly white
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)
Fp  15 °C
storage temp.  Store at RT.
solubility  methanol: 50 mg/mL hot, clear to very faintly turbid, yellow-green fluoresc.
form  Liquid
pka 7.00±0.20(Predicted)
color  Clear
Stability: Stable. Incompatible with strong oxidizing agents.
Optical Rotation [α]20/D 41±2°, c = 5% in pyridine
Water Solubility  MODERATELY SOLUBLE
Merck  3698
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)
Uses
esculin is used as a skin protectant in ointments and creams. This is a glucoside compound originally obtained from the leaves and bark of the horse chestnut tree.
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 531-75-9(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312+P330-P501
Hazard Codes  F,C,Xi
Risk Statements 
R11:Highly Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
R68/20/21/22:Harmful: possible risk of irreversible effects through inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S24/25:Avoid contact with skin and eyes .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  UN 2924 3/PG 2
WGK Germany  3
RTECS  DJ3085000
F  3-10-23
TSCA  TSCA listed
REACH Registrations Active
HS Code  29389090
Storage Class 11 - Combustible Solids

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