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
  • (2Z)-7-{[bis(2-methylpropyl)amino]methyl}-6-hydroxy-2-(2-methylbenzylidene)-1-benzofuran-3(2H)-one
  • 4-Bromo-2-fluoro-n-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]benzamide
  • 6-(3-isobutyl-1H-pyrazol-5-yl)-3-(phenoxymethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
  • 8-Methyl-1,2,3,4-tetrahydroquinoline-5-carboxylic acid
  • N-cyclooctyl-3-{(4S)-2,5-dioxo-1-[(1S)-1-phenylethyl]imidazolidin-4-yl}propanamide
  • 2-(4-benzoylphenoxy)-N-(3-hydroxypyridin-2-yl)acetamide
  • N,8-bis(4-fluorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
  • 3-[(1-phenyl-1H-tetrazol-5-yl)methoxy]benzoic acid
  • 1-[(4-Benzylpiperazin-1-yl)carbonyl]-4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
  • 2-Bromo-1-(5-bromo-2-methoxyphenyl)propan-1-one
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