Sodium 4-[1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl phosphate hydrate (2:1:1) | CAS No. 123359-43-3

Sodium 4-[1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl phosphate hydrate (2:1:1)

Basic Information

CAS Number

123359-43-3

Molecular Formula

C28H31Na2O8P

Molecular Weight

572.5 g/mol

AD

Basic Physical Properties

CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OP(=O)([O-])[O-])C(C)C)C(C)C)O.O.[Na+].[Na+]

InChI

InChI=1S/C28H31O7P.2Na.H2O/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;;;/h7-16,29H,1-6H3,(H2,31,32,33);;;1H2/q;2*+1;/p-2

InChIKey

VXAAAGIFNPRCKZ-UHFFFAOYSA-L

LogP

7.00170

Complexity

828

Synonyms & References

English

  • 123359-43-3
  • Thymolphthalein monophosphate disodium salt hydrate
  • MFCD00149380
  • AKOS024370841
  • sodium 4-(1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl)-2-isopropyl-5-methylphenyl phosphate hydrate
  • YEA35943
  • Thymolphthalein monophosphoric acid disodium salt trihydrate
  • disodium;[4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] phosphate;hydrate
  • THYMOLPHTHALEIN MONOPHOSPHATE DISODIUM SALT
  • THYMOLPHTHALEIN MONOPHOSPHATE DISODIUM SALT HYDRATE
  • THYMOLPHTHALEIN MONOPHOSPHATE DISODIUM SALT N-HYDRATE
  • THYMOLPHTHALEIN MONOPHOSPHORIC ACID DISODIUM SALT XH2O
  • THYMOLPHTHALEIN MONOPHOSPHORIC ACID,DIS ODIUM SALT HYDRATE
  • 1(3H)-Isobenzofuranone,3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-,disodium salt, hydrate (9CI)

MDL Number

MFCD00149380

FAQ

What regulatory guidelines apply to Sodium 4-[1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl phosphate hydrate (2:1:1) (CAS: 123359-43-3)?

This compound must comply with GHS classification, which includes health, environmental, and physical hazard assessments. In the European Union, it must adhere to REACH regulations for the registration of chemicals. Additionally, the FDA and EPA have specific requirements for the handling and management of this compound, ensuring it meets safety and environmental standards.

Are there alternatives to Sodium 4-[1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl phosphate hydrate (2:1:1) (CAS: 123359-43-3) in synthesis?

Alternatives to this compound can include related phosphate derivatives or similar aromatic compounds. Common substitutes in synthesis might involve isomers or analogs, which can be synthesized using alternative reagents such as different alcohols or acids. These alternatives can offer similar functional groups but with different structural variations, providing flexibility in chemical processes.

What is the market or research trend for Sodium 4-[1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl phosphate hydrate (2:1:1) (CAS: 123359-43-3)?

Research trends for this compound indicate increasing interest in its use in pharmaceutical applications, particularly in developing new drug formulations. Market trends suggest a growing demand as it offers unique chemical properties that could enhance drug efficacy. Emerging studies are also exploring its potential in materials science, focusing on its stability and reactivity in various environments.

How should waste containing Sodium 4-[1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]-2-isopropyl-5-methylphenyl phosphate hydrate (2:1:1) (CAS: 123359-43-3) be handled?

Waste containing this compound should be collected in appropriate containers and stored in a cool, dry place, away from direct sunlight and flammable materials. Disposal should be handled by a licensed professional waste management company, as it may require specific treatment methods. Environmental precautions include ensuring no release into waterways and following local and regional hazardous waste regulations.

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