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Name |
Dihexyl sulphide |
EINECS | 228-556-1 |
CAS No. | 6294-31-1 | Density | 0.849 |
PSA | 25.30000 | LogP | 4.88020 |
Solubility | N/A | Melting Point |
-18°C (estimate) |
Formula | C12H26 S | Boiling Point | 230°C(lit.) |
Molecular Weight | 202.404 | Flash Point | 113 ºC |
Transport Information | UN 2810 | Appearance | clear colorless liquid |
Safety | 1738333 | Risk Codes | R36/37/38 |
Molecular Structure | Hazard Symbols | 1738333 | |
Synonyms |
Hexylsulfide (6CI,7CI,8CI); 7-Thiatridecane; Di-n-hexyl sulfide; Dihexyl sulfide;Dihexyl thioether; NSC 9287; SFI 6R |
Article Data | 27 |
Molecular Structure of Dihexyl sulphide (CAS No.6294-31-1):
Molecular Formula: C12H26S
Molecular Weight: 202.3998
CAS No: 6294-31-1
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 10
Polar Surface Area: 25.3 Å2
Index of Refraction: 1.457
Molar Refractivity: 65.64 cm3
Molar Volume: 240.5 cm3
Surface Tension: 29.4 dyne/cm
Density: 0.841 g/cm3
Flash Point: 124 °C
Enthalpy of Vaporization: 44.77 kJ/mol
Boiling Point: 230 °C at 760 mmHg
Vapour Pressure: 0.102 mmHg at 25°C
InChI: InChI=1/C12H26S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey: LHNRHYOMDUJLLM-UHFFFAOYAC
Std. InChI: InChI=1S/C12H26S/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-12H2,1-2H3
Std. InChIKey: LHNRHYOMDUJLLM-UHFFFAOYSA-N
IUPAC Name: 1-Hexylsulfanylhexane
Product Categories: Sulfide Flavor;Organic Building Blocks;Sulfides/Disulfides;Sulfur Compounds
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
RIDADR: UN 2810
WGK Germany: 3
Dihexyl sulphide (CAS No.6294-31-1), its synonyms are 1-(Hexylsulfanyl)hexane ; 7-Thiatridecane ; Hexane, 1,1'-thiobis- ; 1,1'-Thiobishexane .