-
Name
DI-N-HEXYL SULFIDE
- EINECS 228-556-1
- CAS No. 6294-31-1
- Article Data27
- CAS DataBase
- Density 0.849
- Solubility
- 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
- PSA 25.30000
- LogP 4.88020
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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