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02350

Sigma-Aldrich

Esculin hydrate

≥98.0% (HPLC)

Synonym(s):

(-)-Esculin, 6,7-Dihydroxycoumarin 6-glucoside, Esculetin 6-β-D-glucoside

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About This Item

Empirical Formula (Hill Notation):
C15H16O9 · xH2O
CAS Number:
531-75-9
Molecular Weight:
340.28 (anhydrous basis)
MDL number:
MFCD00149492
UNSPSC Code:
12352204
PubChem Substance ID:
329747416
NACRES:
NA.83

Assay

≥98.0% (HPLC)

form

powder

optical activity

[α]20/D −41±2°, c = 5% in pyridine

impurities

≤10.5% water

solubility

methanol: 50 mg/mL, clear to very faintly turbid, yellow-green (fluoresc.)

SMILES string

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

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

InChI key

CQYPGSKIFJFVDQ-QWFKVUSTSA-N

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Other Notes

Wavelength-shifter, 0,4 g/L improve counting efficiency by a factor of 1.3 when 32P-Cerenkov radiation is measured in aqueous samples

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM6891
BCCM2061
BCCH4110
BCCD5732
BCCC2388

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