Product Name

  • Name

    1-ethenylsulfonylhexane

  • EINECS
  • CAS No. 21961-08-0
  • Density 0.997g/cm3
  • Solubility
  • Melting Point
  • Formula C8H16 O2 S
  • Boiling Point 294.7°Cat760mmHg
  • Molecular Weight 176.28
  • Flash Point 145.1°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion and skin contact. When heated to decomposition it emits toxic fumes of SOx. See also SULFONATES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 21961-08-0 (1-ethenylsulfonylhexane)
  • Hazard Symbols
  • Synonyms Sulfone,hexyl vinyl (8CI); Hexyl vinyl sulfone; n-Hexyl vinyl sulfone
  • PSA 42.52000
  • LogP 3.20580

n-Hexyl vinyl sulfone Chemical Properties

Molecule structure of n-Hexyl vinyl sulfone (CAS NO.21961-08-0):

IUPAC Name: 1-Ethenylsulfonylhexane 
Molecular Weight: 176.27644 g/mol
Molecular Formula: C8H16O2S 
Density: 0.997 g/cm3 
Boiling Point: 294.7 °C at 760 mmHg 
Flash Point: 145.1 °C
Index of Refraction: 1.451
Molar Refractivity: 47.66 cm3
Molar Volume: 176.7 cm3
Polarizability: 18.89×10-24 cm3
Surface Tension: 32.7 dyne/cm 
Enthalpy of Vaporization: 51.29 kJ/mol
Vapour Pressure: 0.00281 mmHg at 25 °C
XLogP3-AA: 2.4
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Exact Mass: 176.0871
MonoIsotopic Mass: 176.0871
Topological Polar Surface Area: 34.1
Heavy Atom Count: 11
Complexity: 187
Canonical SMILES: CCCCCCS(=O)(=O)C=C
InChI: InChI=1S/C8H16O2S/c1-3-5-6-7-8-11(9,10)4-2/h4H,2-3,5-8H2,1H3
InChIKey of n-Hexyl vinyl sulfone (CAS NO.21961-08-0): UBDLKKKJTYCRRJ-UHFFFAOYSA-N

n-Hexyl vinyl sulfone Toxicity Data With Reference

1.    

orl-rat LDLo:570 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.
2.    

skn-rbt LD50:840 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 30 (1969),470.

n-Hexyl vinyl sulfone Safety Profile

Moderately toxic by ingestion and skin contact. When heated to decomposition it emits toxic fumes of SOx. See also SULFONATES.

n-Hexyl vinyl sulfone Specification

 n-Hexyl vinyl sulfone (CAS NO.21961-08-0) is also named as BRN 1857803 ; Sulfone, hexyl vinyl .

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