Esculetin Structure

Esculetin

Chemical Properties

Melting point 271-273 °C(lit.)
Boiling point 270.35°C (rough estimate)
Density  1.3431 (rough estimate)
refractive index  1.4500 (estimate)
storage temp.  2-8°C
solubility  Solubility Almost insoluble in boiling water, ether; soluble in hot ethanol, glacial acetic acid
form  powder
pka 1.71(at 25℃)
color  Light yellow
PH Range Weak blue uorescence (1.5) to strong blue uorescence (2.0)
Water Solubility  slightly soluble
Merck  14,3697
BRN  152788
Major Application antiinflammatory, Herbicides, cosmetics, teeth whitening agent, antifungal, neurodegenerative andfungal, antibacterial, antiviral, treating drug-induced weight gain, neurodegenerative and blood coagulation disorders, cancer, amyloidosis, skin impairments and baldness
Cosmetics Ingredients Functions SKIN CONDITIONING
InChI 1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
InChIKey ILEDWLMCKZNDJK-UHFFFAOYSA-N
SMILES Oc1cc2OC(=O)C=Cc2cc1O
LogP 0.980 (est)
CAS DataBase Reference 305-01-1(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII SM2XD6V944
NIST Chemistry Reference Coumarin, 6,7-dihydroxy-(305-01-1)
EPA Substance Registry System Esculetin (305-01-1)
UNSPSC Code 41116107
NACRES NA.24

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P305+P351+P338-P261-P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36-37/39
WGK Germany  3
RTECS  GN6382500
HS Code  29322090
Storage Class 11 - Combustible Solids
NFPA 704:
1
2 0

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