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| CAS No.: | 10496-18-1 |
|---|---|
| Name: | DIDECYL DISULFIDE |
| Molecular Structure: | |
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| Formula: | C20H42S2 |
| Molecular Weight: | 346.685 |
| Synonyms: | Decyldisulfide (6CI,7CI,8CI);Di-n-decyl disulfide;Didecyl disulfide; |
| Density: | 0.896 g/cm3 |
| Melting Point: | -13.99°C |
| Boiling Point: | 427.5 °C at 760 mmHg |
| Flash Point: | 188.9 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | R22; R36/37/38 |
| PSA: | 50.60000 |
| LogP: | 8.64920 |
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Specification
This chemical is called Didecyl disulfide, and its IUPAC name is 1-(decyldisulfanyl)decane. With the molecular formula C20H42S2, its molecular weight is 346.68. In addition, the CAS registry number of this chemical is10496-18-1, and its product category is Sulfide Flavor.
Other characteristics of the Didecyl disulfide can be summarised as followings: (1)XLogP3-AA: 9.9; (2)Rotatable Bond Count: 19; (3)Topological Polar Surface Area: 50.6; (4)Heavy Atom Count: 22; (5)Formal Charge: 0; (6)Complexity: 163; (7)Covalently-Bonded Unit Count: 1; (8)ACD/LogP: 11.33; (9)# of Rule of 5 Violations: 1; (10)ACD/LogD (pH 5.5): 11.33; (11)ACD/LogD (pH 7.4): 11.33; (12)ACD/BCF (pH 5.5): 1000000; (13)ACD/BCF (pH 7.4): 1000000; (14)ACD/KOC (pH 5.5): 10000000; (15)ACD/KOC (pH 7.4): 10000000; (16)#H bond acceptors: 0; (17)#H bond donors: 0; (18)#Freely Rotating Bonds: 19; (19)Polar Surface Area: 50.6 Å2; (20)Index of Refraction: 1.484; (21)Molar Refractivity: 110.7 cm3; (22)Molar Volume: 386.6 cm3; (23)Polarizability: 43.88×10-24cm3; (24)Surface Tension: 33.3 dyne/cm; (25)Density: 0.896 g/cm3; (26)Flash Point: 188.9 °C; (27)Enthalpy of Vaporization: 65.6 kJ/mol; (28)Boiling Point: 427.5 °C at 760 mmHg; (29)Vapour Pressure: 4.07E-07 mmHg at 25°C.
Preparation of this chemical: The Didecyl disulfide could be obtained by the reactant of decane-1-thiol and the reagent of bromine. In addtion, the other condition is ambient temperature.
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Uses of this chemical: The decane-1-thiol could be made by the reactant of Didecyl disulfide, and the reagents of zinc and aqueous sulfuric acid.
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You can still convert the following datas into molecular structure:
(1)SMILES: S(SCCCCCCCCCC)CCCCCCCCCC
(2)InChI: InChI=1/C20H42S2/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
(3)InChIKey: IDJPKRIELSFBPE-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C20H42S2/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
(5)Std. InChIKey: IDJPKRIELSFBPE-UHFFFAOYSA-N