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Substance Name: 1-(5,5,7,7-Tetramethyl-2-octanyl)-2-methyl-5-ethylpyridinium chl
RN: 10031-58-0
UNII: 54UE9O917V
InChIKey: XZTPBDZTQNLDOX-UHFFFAOYSA-M

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C20-H36-N.Cl

Molecular Weight

  • 325.964
 
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Names and Synonyms

Name of Substance

  • 1-(5,5,7,7-Tetramethyl-2-octanyl)-2-methyl-5-ethylpyridinium chl

Synonyms

  • 1-(5,5,7,7-Tetramethyl-2-octanyl)-2-methyl-5-ethylpyridinium chloride
  • 3-Ethyl-6-methyl-1-(1,4,4,6,6-pentamethylheptyl)pyridinium chloride
  • 5-Ethyl-2-methyl-1-(1,4,4,6,6-pentamethylheptyl)pyridinium chloride
  • UNII-54UE9O917V

Systematic Name

  • Pyridinium, 5-ethyl-2-methyl-1-(1,4,4,6,6-pentamethylheptyl)-, chloride

Registry Numbers

CAS Registry Number

  • 10031-58-0

FDA UNII

  • 54UE9O917V

System Generated Number

  • 0010031580

Molecular Formulas

Molecular Formula

  • C20-H36-N.Cl

Molecular Formula Fragments

  • C20-H36-N
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C20H36N.ClH/c1-9-18-11-10-16(2)21(14-18)17(3)12-13-20(7,8)15-19(4,5)6;/h10-11,14,17H,9,12-13,15H2,1-8H3;1H/q+1;/p-1

InChIKey

XZTPBDZTQNLDOX-UHFFFAOYSA-M

Smiles

[n+]1(c(ccc(c1)CC)C)[C@@H](CCC(CC(C)(C)C)(C)C)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 71mg/kg (71mg/kg) SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 540mg/kg (540mg/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.