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Substance Name: Sodium bis(1-methylethyl)naphthalenesulfonate
RN: 1322-93-6
UNII: EG3206JKKS
InChIKey: NMYKPZSMIQTTPB-UHFFFAOYSA-M

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C16-H20-O3-S.Na

Molecular Weight

  • 314.3791
 
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Names and Synonyms

Name of Substance

  • Sodium bis(1-methylethyl)naphthalenesulfonate

Synonyms

  • BA-77
  • Diisopropylnaphthalenesulfonic acid, sodium salt
  • EINECS 215-343-3
  • Nekal A
  • NSC 5830
  • Sodium diisopropylnaphthalene sulfonate
  • Sodium diisopropylnaphthalenesulfonate
  • UNII-EG3206JKKS

Systematic Names

  • Naphthalenesulfonic acid, bis(1-methylethyl)-, sodium salt
  • Naphthalenesulfonic acid, bis(1-methylethyl)-, sodium salt (1:1)
  • Naphthalenesulfonic acid, diisopropyl-, sodium salt (8CI)
  • Nekal BA-77
  • Sodium diisopropylnaphthalenesulphonate

Superlist Name

  • Diisopropylnaphthalenesulfonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 1322-93-6

FDA UNII

  • EG3206JKKS

Other Registry Numbers

  • 28600-56-8
  • 63704-79-0
  • 76684-32-7

System Generated Number

  • 0001322936

Molecular Formulas

Molecular Formula

  • C16-H20-O3-S.Na

Molecular Formula Fragments

  • C16-H20-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H20O3S.Na/c1-10(2)12-5-6-15-13(7-12)8-14(20(17,18)19)9-16(15)11(3)4;/h5-11H,1-4H3,(H,17,18,19);/q;+1/p-1

InChIKey

NMYKPZSMIQTTPB-UHFFFAOYSA-M

Smiles

CC(C)c1ccc2c(c1)cc(cc2C(C)C)S(=O)(=O)[O-].[Na+]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.140 (none)   EST
Water Solubility 1080 mg/L 25 EST
Vapor Pressure 5.89E-15 mm Hg 25 EST
Atmospheric OH Rate Constant 1.77E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.