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
  • N-[4-(4-Fluorophenoxy)butyl]-1,6-dihydro-6-oxo-3-pyridinecarboxamide
  • 1-{4-[(5-Nitro-2-pyridinyl)oxy]phenyl}-1-ethanone
  • N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(methylsulfanyl)pyridine-3-carboxamide
  • N-(1-cyano-1,2-dimethylpropyl)-2-({3-cyano-4-methyl-5H,6H,7H-cyclopenta[b]pyridin-2-yl}sulfanyl)acetamide
  • 6-chloro-N-[2-(dimethylamino)-2-phenylethyl]-4-oxo-4H-chromene-2-carboxamide
  • N-tert-butyl-5-(dimethylsulfamoyl)-2-methylbenzamide
  • N-2-Propen-1-yl-4-(3,4,5-trimethoxyphenyl)-2-thiazolamine
  • N-[1-(2,4-difluorophenyl)ethyl]-3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanamide
  • 2,5-Dimethyl-3-furancarboxylic acid 2-[(ethylamino)carbonyl]hydrazide
  • n-(4-Bromo-2-fluorophenyl)-4-chloropicolinamide
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