Cas no 28749-63-5 (1(3H)-Isobenzofuranone,3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-,sodium salt (1:?))

1(3H)-Isobenzofuranone,3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-,sodium salt (1:?) structure
28749-63-5 structure
Product Name:1(3H)-Isobenzofuranone,3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-,sodium salt (1:?)
CAS No:28749-63-5
MF:C28H29Na2O7P
MW:554.478971242905
MDL:MFCD00005908
CID:276200
PubChem ID:112524
Update Time:2025-04-19

1(3H)-Isobenzofuranone,3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-,sodium salt (1:?) Chemical and Physical Properties

Names and Identifiers

    • 1(3H)-Isobenzofuranone,3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-,sodium salt (1:?)
    • 1(3H)-Isobenzofuranone,3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methyle...
    • 1(3H)-Isobenzofuranone,3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-,
    • THYMOLPHTHALEIN MONOPHOSPHATE DISODIUM SALT
    • Sodium thymolphthalein monophosphate.
    • Thymolphthalein monophosphate hydrate disodium salt
    • THYMOLPHTHALEIN MONOPHOSPHATE SODIUM SALT
    • THYMOLPHTHALEIN MONOPHOSPHORIC ACID,DISODIUM SALT
    • Thymolphthalein monophosphoric acid,disodium salt,pure
    • Tmp(ThymolphthaleinMonophosphate),DisodiumSalt
    • TMP,DISODIUM SALT
    • TMP,disodium salt Thymolphthalein monophosphoric acid,disodium salt
    • 1(3H)-Isobenzofuranone, 3-(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-3-(2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl)-, sodium salt (1:2)
    • disodium;[4-[1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-oxo-2-benzofuran-1-yl]-5-methyl-2-propan-2-ylphenyl] phosphate
    • sodium 4-(1-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl)-2-isopropyl-5-methylphenyl phosphate
    • 1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-, sodium salt (1:2)
    • 1(3H)-Isobenzofuranone, 3-(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-3-(2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl)-, disodium salt
    • DTXSID90890917
    • 62796-27-4
    • 28749-63-5
    • EINECS 263-733-7
    • 1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-, sodium salt
    • AKOS024371026
    • Thymolphthalein monophosphate, sodium salt
    • FT-0638804
    • NS00088520
    • Thymolphthalein monophosphoric acid disodium salt
    • 1(3H)-Isobenzofuranone, 3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-, disodium salt
    • J-004927
    • Thymolphthalein phosphate, disodium salt
    • THYMOLPHTHALEIN MONOPHOSPHATE DISODIUM*A PPROX. 98%
    • Disodium 4-(3-(4-hydroxy-5-isopropyl-o-tolyl)-1-oxo-3H-isobenzofuran-3-yl)-6-isopropyl-m-tolyl phosphate
    • Thymolphthalein monophosphate, disodium salt
    • DB-047449
    • MDL: MFCD00005908
    • Inchi: 1S/C28H31O7P.2Na/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);;/q;2*+1/p-2
    • InChI Key: SQUIXVJVXGLUIW-UHFFFAOYSA-L
    • SMILES: P(=O)([O-])([O-])OC1=CC(C)=C(C=C1C(C)C)C1(C2C=CC=CC=2C(=O)O1)C1C=C(C(=CC=1C)O)C(C)C.[Na+].[Na+]

Computed Properties

  • Exact Mass: 554.14500
  • Monoisotopic Mass: 510.18074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 6
  • Complexity: 852
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 9
  • Topological Polar Surface Area: 116

Experimental Properties

  • Color/Form: Beige to yellow crystal powder
  • Density: 1.306
  • Boiling Point: 667.1°Cat760mmHg
  • Flash Point: 357.3°C
  • PSA: 128.76000
  • LogP: 7.06600
  • Solubility: Not determined

1(3H)-Isobenzofuranone,3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-,sodium salt (1:?) Security Information

  • Safety Instruction: S24/25
  • Storage Condition:0-6°C
  • Safety Term:S24/25

1(3H)-Isobenzofuranone,3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-,sodium salt (1:?) Pricemore >>

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1(3H)-Isobenzofuranone,3-[4-hydroxy-2-methyl-5-(1-methylethyl)phenyl]-3-[2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl]-,sodium salt (1:?) Related Literature

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