p-Toluenesulfonic acid, thio-, S-octyl ester

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Names

[ CAS No. ]:
7559-53-7

[ Name ]:
p-Toluenesulfonic acid, thio-, S-octyl ester

[Synonym ]:
n-Octyl-p-toluolthiolsulfonat
4-Methylbenzene-1-thiosulfonic acid S-octyl ester
4-Methylbenzenesulfonothioic acid S-octyl ester

Chemical & Physical Properties

[ Density]:
1.084g/cm3

[ Boiling Point ]:
418.8ºC at 760 mmHg

[ Molecular Formula ]:
C15H24O2S2

[ Molecular Weight ]:
300.48000

[ Flash Point ]:
207.1ºC

[ Exact Mass ]:
300.12200

[ PSA ]:
67.82000

[ LogP ]:
5.85820

[ Index of Refraction ]:
1.527

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT7355000
CHEMICAL NAME :
p-Toluenesulfonic acid, thio-, S-octyl ester
CAS REGISTRY NUMBER :
7559-53-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H24-O2-S2
MOLECULAR WEIGHT :
300.51
WISWESSER LINE NOTATION :
8SSWR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04599

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Bromooctane
  • p-toluenethiosulfonic acid potassium salt

DownStream

Related Compounds

  • Benzenesulfonothioicacid, 4-methyl-, S-(trifluoromethyl) ester
  • 1-(4-methylphenyl)sulfonylsulfanylhexadecane
  • Benzenesulfonothioicacid, 4-methyl-, S-decyl ester
  • Benzenesulfonothioicacid, 4-methyl-, S-hexyl ester
  • Benzenesulfonothioicacid, 4-methyl-, S-(trichloromethyl) ester
  • 2-(4-methylphenyl)sulfonylsulfanyltetradecane
  • 4-(tert-butyl)-N-(4-(dimethylamino)but-2-yn-1-yl)benzamide
  • Methyl 4-(azetidin-3-yl)benzoate
  • Ethyl 3-(4-chlorophenyl)azepane-1-carboxylate
  • N-(4-(dimethylamino)but-2-yn-1-yl)-2-ethoxybenzamide
  • N-(1-cyanocyclobutyl)-N-methyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
  • 1-(4-(Diethylamino)but-2-yn-1-yl)-3-phenylurea
  • Methyl 2-{[(tert-butoxy)carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
  • 3-(benzyloxy)-N-(1-cyanocyclobutyl)-N-methylbenzamide
  • 1-hydroxy-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
  • N-(1-cyanocyclobutyl)-N-methyl-5-nitrothiophene-2-carboxamide
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