1-Hexadecanesulfonic acid, thio-, S-hexadecyl ester (8CI)

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Names

[ CAS No. ]:
7559-44-6

[ Name ]:
1-Hexadecanesulfonic acid, thio-, S-hexadecyl ester (8CI)

[Synonym ]:
HEXADECANESULFONIC ACID,THIO-,S-HEXADECYL ESTER
S-Hexadecyl hexadecanethiosulfonate
1-Hexadecyl-1-hexadecanthiolsulfonat

Chemical & Physical Properties

[ Density]:
0.924g/cm3

[ Boiling Point ]:
630.9ºC at 760 mmHg

[ Molecular Formula ]:
C32H66O2S2

[ Molecular Weight ]:
546.99500

[ Flash Point ]:
335.4ºC

[ Exact Mass ]:
546.45000

[ PSA ]:
67.82000

[ LogP ]:
13.09280

[ Index of Refraction ]:
1.476

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ML9460000
CHEMICAL NAME :
Hexadecanesulfonic acid, thio-, S-hexadecyl ester
CAS REGISTRY NUMBER :
7559-44-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C32-H66-O2-S2

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#04609

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Disulfide, dihexadecyl

DownStream

Related Compounds

  • (1R,4R,5R)-1,5-dihydroxy-4-(hydroxymethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
  • 4-butoxy-N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)benzamide
  • N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-3,4,5-trimethoxybenzamide
  • N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-2-fluorobenzamide
  • N-(1-amino-2-methylpropan-2-yl)-2-methylprop-2-enamide
  • N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
  • N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide
  • N-((1-(3,4-dimethylphenyl)-1H-tetrazol-5-yl)methyl)-2-(methylsulfonyl)benzamide
  • Methyl 7-cyclopropyl-1-ethyl-2-((2-fluorobenzyl)thio)-4-oxo-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
  • 2-methyl-N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
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