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Diisopropyl disulfide

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Name

Diisopropyl disulfide

EINECS 224-225-0
CAS No. 4253-89-8 Density 0.962 g/cm3
PSA 50.60000 LogP 3.18460
Solubility N/A Melting Point -69°C
Formula C6H14S2 Boiling Point 178.2 °C at 760 mmHg
Molecular Weight 150.309 Flash Point 18.3 °C
Transport Information UN 1993 3/PG 2 Appearance CLEAR COLOURLESS LIQUID
Safety 9-16-29-33-36 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 4253-89-8 (ISOPROPYL DISULFIDE) Hazard Symbols IrritantXi,FlammableF
Synonyms

Isopropyldisulfide (6CI,7CI,8CI);2,5-Dimethyl-3,4-dithiahexane;Bis(1-methylethyl)disulfide;NSC 75123;

Article Data 103

Diisopropyl disulfide Specification

The Disulfide,bis(1-methylethyl), with CAS registry number 4253-89-8, belongs to the following product categories: (1)sulfide Flavor; (2)Organic Building Blocks; (3)Sulfides/Disulfides; (4)Sulfur Compounds; (5)Alphabetical Listings; (6)Flavors and Fragrances; (7)I-L. It has the systematic name of 2-(propan-2-yldisulfanyl)propane. This chemical is a kind of clear colourless liquid.

Physical properties of Disulfide,bis(1-methylethyl): (1)ACD/LogP: 3.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.53; (4)ACD/LogD (pH 7.4): 3.53; (5)ACD/BCF (pH 5.5): 282.42; (6)ACD/BCF (pH 7.4): 282.42; (7)ACD/KOC (pH 5.5): 1976.76; (8)ACD/KOC (pH 7.4): 1976.76; (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: 1.497; (14)Molar Refractivity: 45.75 cm3; (15)Molar Volume: 156.2 cm3; (16)Polarizability: 18.13×10-24cm3; (17)Surface Tension: 30.4 dyne/cm; (18)Enthalpy of Vaporization: 39.74 kJ/mol; (19)Vapour Pressure: 1.35 mmHg at 25°C.

Preparation: this chemical can be prepared by propane-2-thiol. This reaction will need reagents S, 50% aq. NaOH, Tergitol 15-S-7.  The reaction time is 3 hour(s) with reaction temperature of 50 ℃. The yield is about 93%.

Uses of Disulfide,bis(1-methylethyl): it can be used to produce propane-2-thiosulfinic acid S-isopropyl ester. This reaction will need reagents acetic acid, aqueous hydrogen peroxide (1 mol).

When you are using this chemical, please be cautious about it as the following:
The Disulfide,bis(1-methylethyl) irritates to eyes, respiratory system and skin. And this chemical is highly flammable, so keep it away from sources of ignition. And keep container in a well-ventilated place. After use it, do not empty into drains. When use it, wear suitable protective clothing and take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: S(SC(C)C)C(C)C
(2)InChI: InChI=1/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3
(3)InChIKey: LZAZXBXPKRULLB-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3
(5)Std. InChIKey: LZAZXBXPKRULLB-UHFFFAOYSA-N

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