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Disulfide, dihexyl

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Name

Disulfide, dihexyl

EINECS 234-022-9
CAS No. 10496-15-8 Density 0.921 g/cm3
PSA 50.60000 LogP 5.52840
Solubility N/A Melting Point -47.99°C
Formula C12H26S2 Boiling Point 305.1 °C at 760 mmHg
Molecular Weight 234.47 Flash Point 126.4 °C
Transport Information N/A Appearance N/A
Safety 23-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 10496-15-8 (DI-N-HEXYL DISULFIDE) Hazard Symbols N/A
Synonyms

Hexyldisulfide (6CI,7CI,8CI);Di-n-hexyl disulfide;Dihexyl disulfide;NSC 677454;n-Hexyl disulfide;

Article Data 86

Disulfide, dihexyl Specification

The CAS register number of Disulfide, dihexyl is 10496-15-8. It also can be called as Di-n-hexyl disulfide and the IUPAC name about this chemical is 1-(hexyldisulfanyl)hexane. The molecular formula about this chemical is C12H26S2 and the molecular weight is 234.46. When you are using this chemical, do not breathe vapour and avoid contact with skin and eyes. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.

Physical properties about Disulfide, dihexyl are: (1)ACD/LogP: 7.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.08; (4)ACD/LogD (pH 7.4): 7.08; (5)ACD/BCF (pH 5.5): 142383.78; (6)ACD/BCF (pH 7.4): 142383.78; (7)ACD/KOC (pH 5.5): 169990.41; (8)ACD/KOC (pH 7.4): 169990.41; (9)#Freely Rotating Bonds: 11; (10)Polar Surface Area: 50.6 Å2; (11)Index of Refraction: 1.49; (12)Molar Refractivity: 73.63 cm3; (13)Molar Volume: 254.5 cm3; (14)Polarizability: 29.19x10-24cm3; (15)Surface Tension: 33.1 dyne/cm; (16)Density: 0.921 g/cm3; (17)Flash Point: 126.4 °C; (18)Enthalpy of Vaporization: 52.37 kJ/mol; (19)Boiling Point: 305.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00152 mmHg at 25 °C.

Preparation: this chemical can be prepared by hexane-1-thiol. This reaction will need reagent of MnO2, molecular sieves and solvent of hexane. The reaction time is 1 hour. This reaction needs heating.

Disulfide, dihexyl can be prepared by hexane-1-thiol.

Uses of Disulfide, dihexyl: it can be used to produce 1-Hexyl cyclohexyl disulfide with dicyclohexyl disulfide. This reaction will need reagents of n-Bu4NClO4, O2 and solvent of dimethylformamide. The reaction needs ambient temperature. The yield is about 34%.

Disulfide, dihexyl can be used to produce 1-Hexyl cyclohexyl disulfide with dicyclohexyl disulfide.

You can still convert the following datas into molecular structure:
(1)SMILES: S(SCCCCCC)CCCCCC
(2)InChI: InChI=1/C12H26S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3
(3)InChIKey: GJPDBURPGLWRPW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H26S2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3
(5)Std. InChIKey: GJPDBURPGLWRPW-UHFFFAOYSA-N

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