Thymol Blue
[CAS 81012-93-3]

Identification

• Classification: Biochemical >> Biochemical reagent >> Biological dye
• Name: Thymol Blue
• Synonyms: Sodium 4-[3-(4-Hydroxy-5-Isopropyl-2-Methyl-Phenyl)-1,1-Dioxo-Benzo[C]Oxathiol-3-Yl]-2-Isopropyl-5-Methyl-Phenolate; Sodium 4-[3-(4-Hydroxy-5-Isopropyl-2-Methylphenyl)-1,1-Dioxo-3-Benzo[C]Oxathiolyl]-2-Isopropyl-5-Methylphenolate; Sodium 4-[3-(4-Hydroxy-5-Isopropyl-2-Methyl-Phenyl)-1,1-Diketo-Benzo[C]Oxathiol-3-Yl]-2-Isopropyl-5-Methyl-Phenolate
• Molecular Formula: C₂₇H₂₉NaO₅S
• Molecular Weight: 488.57
• CAS Registry Number: 81012-93-3
• SMILES: C1=CC=CC2=C1C(O[S]2(=O)=O)(C3=CC(=C([O-])C=C3C)C(C)C)C4=C(C=C(O)C(=C4)C(C)C)C.[Na+]
• InChI: 1S/C27H30O5S.Na/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6;/h7-16,28-29H,1-6H3;/q;+1/p-1
• InChIKey: BAVBEHWEOJMHDS-UHFFFAOYSA-M

Properties

• Boiling point: 580.5°C at 760 mmHg (Cal.)
• Flash point: 304.9°C (Cal.)

Safety Data

• Safety Description: Minimize exposure.