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Dihexyl sulphide

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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 Molecular Structure of 6294-31-1 (DI-N-HEXYL SULFIDE) 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

Dihexyl sulphide Chemical Properties

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

Dihexyl sulphide Safety Profile

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 Specification

  Dihexyl sulphide (CAS No.6294-31-1), its synonyms are 1-(Hexylsulfanyl)hexane ; 7-Thiatridecane ; Hexane, 1,1'-thiobis- ; 1,1'-Thiobishexane .

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