Esculin hydrate, 97%, ACROS Organics™

Brand:  Acros Organics 117830500

Product Code. 10006253

Chemical Identifiers

• CAS: 531-75-9
• Molecular Weight (g/mol): 340.284
• InChI Key: XHCADAYNFIFUHF-TVKJYDDYSA-N
• PubChem CID: 5281417
• IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

• Molecular Formula: C15H16O9
• MDL Number: MFCD00149492
• Synonym: esculin, aesculin, esculoside, --esculin, polychrome, 6,7-dihydroxycoumarin-6-o-glucoside, aesculinum, esculine, esculetin 6-o-glucoside, 6,7-dihydroxycoumarin 6-glucoside
• ChEBI: CHEBI:4853
• SMILES: C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O

Specifications

• Chemical Name or Material: Esculin hydrate
• Packaging: Glass bottle
• Specific Rotation: − 86.00
• Water: 8% max. (K.F.)
• Melting Point: 203.0°C to 205.0°C
• CAS: 531-75-9
• Molecular Formula: C15H16O9
• Merck Index: 15, 3753
• Solubility Information: Solubility in water: moderately soluble. Other solubilities: freely soluble in hot water, soluble in hot alcohol, methanol, pyridine,, ethyl acetate and acetic acid
• SMILES: C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O
• Molecular Weight (g/mol): 340.284
• ChEBI: CHEBI:4853
• Physical Form: Liquid

• Infrared Spectrum: Authentic
• Specific Rotation Condition: - 86.00 (20.00°C c=2,dioxane/water1:1)
• Sulfated Ash: 0.1% max.
• Color: Undesignated
• Quantity: 50g
• Assay Percent Range: 97%
• MDL Number: MFCD00149492
• Synonym: esculin, aesculin, esculoside, --esculin, polychrome, 6,7-dihydroxycoumarin-6-o-glucoside, aesculinum, esculine, esculetin 6-o-glucoside, 6,7-dihydroxycoumarin 6-glucoside
• InChI Key: XHCADAYNFIFUHF-TVKJYDDYSA-N
• IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
• PubChem CID: 5281417
• Formula Weight: 340.29
• Percent Purity: 97%