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