74748

Patent Blue V calcium salt

analytical standard

• Synonym(s): Acid Blue 3 calcium salt, Acid Blue V calcium salt, Food Blue 5, Patent Blue V hemicalcium salt
• Empirical Formula (Hill Notation): C₂₇H₃₁N₂O₇S₂ · 0.5Ca
• CAS Number: 3536-49-0
• Molecular Weight: 579.71
• UNSPSC Code: 85151701
• NACRES: NA.24
• E Number: E131
• PubChem Substance ID: 329765837
• EC Number: 222-573-8
• MDL number: MFCD00038746
• Colour Index Number: 42051
• Beilstein/REAXYS Number: 4108121

Properties

• grade: analytical standard
• Quality Segment: 100
• assay: ≥97.0% (HPLC)
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable, chromatography: suitable, gas chromatography (GC): suitable
• application(s): cleaning products; cosmetics; food and beverages; personal care
• format: neat
• SMILES string: [Ca++].CCN(CC)c1ccc(cc1)\C(=C2/C=C\C(C=C2)=[N+](\CC)CC)c3cc(O)c(cc3S([O-])(=O)=O)S([O-])(=O)=O.CCN(CC)c4ccc(cc4)C(=C5/C=C\C(C=C5)=[N+](\CC)CC)\c6cc(O)c(cc6S([O-])(=O)=O)S([O-])(=O)=O
• InChI: 1S/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2
• InChI key: RTMBGDBBDQKNNZ-UHFFFAOYSA-L

Description

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Literature for Patent Blue Violet discusses two dyes which are very similar, Color Index Numbers 42045 and 42051. Structurally they differ with regard to the substituents on one of the aromatic rings. C.I. 42045 is 2,4-disulfo-substituted while C.I. 42051 is 2,4-disulfo-5-hydroxy-substituted. This is the latter form.

Safety Information

• Storage Class: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable