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Substance Name: Benzenesulfonic acid, tetrapropylene-
RN: 11067-81-5
InChIKey: FODHIQQNHOPUKH-UHFFFAOYSA-N

Molecular Formula

  • C18-H30-O3-S

Molecular Weight

  • 318.4348
 
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Names and Synonyms

Synonyms

  • EINECS 234-288-6
  • Tetrapropylene benzene sulfonate
  • Tetrapropylene benzenesulfonate
  • Tetrapropylene benzenesulphonate
  • Tetrapropylenebenzenesulfonic acid

Systematic Names

  • Benzenesulfonic acid, tetrapropylene-
  • Tetrapropylenebenzenesulphonic acid

Registry Numbers

CAS Registry Number

  • 11067-81-5

Other Registry Numbers

  • 27342-71-8
  • 56845-99-9

System Generated Number

  • 0011067815

Structure Descriptors

InChI

1S/C18H22O3S/c1-8-5-12-14(8)13-6-10(3)21-22(19,20)17(13)16-15(12)11(4)18(16)7-9(18)2/h8-11H,5-7H2,1-4H3

InChIKey

FODHIQQNHOPUKH-UHFFFAOYSA-N

Smiles

CC1Cc2c1c3c(c4c2C(C45CC5C)C)S(=O)(=O)OC(C3)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1gm/kg (1000mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 83, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.320 (none)   EST
Water Solubility 0.034 mg/L 25 EST
Vapor Pressure 1.33E-07 mm Hg 25 EST
Henry's Law Constant 1.82E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.53E-11 cm3/molecule-sec 25 EST

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