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Substance Name: Tetrapropylenebenzyl sulfonate
RN: 11067-82-6
InChIKey: AVWQQPYHYQKEIZ-UHFFFAOYSA-K

Molecular Formulas

  • C18-H29-O3-S.Na
  • C18-H30-O3-S.Na

Molecular Weight

  • 1045.44
 
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Names and Synonyms

Name of Substance

  • Tetrapropylenebenzyl sulfonate

Synonyms

  • EINECS 234-289-1
  • Jadinol PU
  • Merpisap PD82
  • Nansa HS 55
  • Neogen R
  • Sodium tetrapropylbenzene sulfonate
  • Sodium tetrapropylenebenzenesulfonate
  • Tetrapropylenebenenesulphonate, sodium salt
  • TPBS

Systematic Names

  • Benzenesulfonic acid, tetrapropylene-, (3R-(3alpha,3aalpha,4beta,4abeta,7abeta,8alpha,9abeta))-
  • Benzenesulfonic acid, tetrapropylene-, sodium salt
  • Sodium tetrapropylenebenzenesulphonate

Registry Numbers

CAS Registry Number

  • 11067-82-6

Other Registry Numbers

  • 25321-18-0
  • 31511-39-4
  • 37203-42-2
  • 55171-84-1

System Generated Number

  • 0011067826

Molecular Formulas

Molecular Formulas

  • C18-H29-O3-S.Na
  • C18-H30-O3-S.Na

Molecular Formula Fragments

  • C18-H29-O3-S
  • C18-H30-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/3C18H30O3S.3Na/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;;;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);12,14-16H,2-11,13H2,1H3,(H,19,20,21);13-16H,2-12H2,1H3,(H,19,20,21);;;/q;;;3*+1/p-3

InChIKey

AVWQQPYHYQKEIZ-UHFFFAOYSA-K

Smiles

c1(c(S(=O)(=O)[O-])cccc1)CCCCCCCCCCCC.c1(cc(ccc1)S(=O)(=O)[O-])CCCCCCCCCCCC.c1(ccc(S(=O)(=O)[O-])cc1)CCCCCCCCCCCC.[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 80mg/kg (80mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Agricultural and Biological Chemistry. Vol. 31, Pg. 1509, 1967.
mouse LD50 intravenous 121mg/kg (121mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Agricultural and Biological Chemistry. Vol. 31, Pg. 1509, 1967.
mouse LD50 oral 1620mg/kg (1620mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Agricultural and Biological Chemistry. Vol. 31, Pg. 1509, 1967.
rat LD50 oral 1220mg/kg (1220mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Fette, Seifen, Anstrichmittel. Vol. 63, Pg. 938, 1961.