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CAS No.: | 110-06-5 |
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Name: | DI-TERT-BUTYL DISULFIDE |
Article Data: | 148 |
Molecular Structure: | |
Formula: | C8H18S2 |
Molecular Weight: | 178.363 |
Synonyms: | t-butyl disulfide;2-methyl-2-tert-butyldisulfanyl-propane;Di-tert-Butyl Disulfide;Disulfide, bis(1,1-dimethylethyl); |
EINECS: | 203-734-1 |
Density: | 0.945 g/cm3 |
Melting Point: | -5 °C |
Boiling Point: | 200.5 °C at 760 mmHg |
Flash Point: | 62.2 °C |
Appearance: | clear pale yellow to yellow liquid |
Hazard Symbols: | |
Risk Codes: | 51/53 |
Safety: | 61 |
PSA: | 50.60000 |
LogP: | 3.96480 |
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The Di-tert-butyl disulphide, with the CAS registry number 110-06-5, is also known as t-Butyl disulfide. Its EINECS number is 203-734-1. This chemical's molecular formula is C8H18S2 and molecular weight is 178.36. What's more, its systematic name is 2-(tert-Butyldisulfanyl)-2-methylpropane.
Physical properties of Di-tert-butyl disulphide are: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.23; (5)ACD/BCF (pH 5.5): 959.71; (6)ACD/BCF (pH 7.4): 959.71; (7)ACD/KOC (pH 5.5): 4744.76; (8)ACD/KOC (pH 7.4): 4744.76; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.6 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 55.03 cm3; (15)Molar Volume: 188.6 cm3; (16)Polarizability: 21.81×10-24 cm3; (17)Surface Tension: 30.1 dyne/cm; (18)Density: 0.945 g/cm3; (19)Flash Point: 62.2 °C; (20)Enthalpy of Vaporization: 41.89 kJ/mol; (21)Boiling Point: 200.5 °C at 760 mmHg; (22)Vapour Pressure: 0.458 mmHg at 25 °C.
Preparation: this chemical can be prepared by 2-methyl-propane-2-thiol at 20 °C. This reaction will need reagent (n-Bu4N)2S2O8 with the reaction time of 5 minutes. The yield is about 86%.
Uses of Di-tert-butyl disulphide: it can be used to produce S-tert-butyl tert-butanethiosulfonate at -78 °C. It will need reagent dimethyldioxirane and solvent acetone with the reaction time of 6 hours. The yield is about 75%.
When you are using this chemical, please be cautious about it as the following:
It is toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. When using it, you should avoid releasing to the environment and refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)SSC(C)(C)C
(2)InChI: InChI=1S/C8H18S2/c1-7(2,3)9-10-8(4,5)6/h1-6H3
(3)InChIKey: BKCNDTDWDGQHSD-UHFFFAOYSA-N