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Dimeric mercapto propanone

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Dimeric mercapto propanone

EINECS 259-770-3
CAS No. 55704-78-4 Density 1.323 g/cm3
PSA 91.06000 LogP 0.88340
Solubility slightly soluble in water Melting Point 64 °C
Formula C6H12O2S2 Boiling Point 326.8 °C at 760 mmHg
Molecular Weight 180.292 Flash Point 159.1 °C
Transport Information N/A Appearance white to light yellow powder
Safety 16-26-37/39 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 55704-78-4 (Dimeric mercapto propanone) Hazard Symbols FlammableF,IrritantXi
Synonyms

p-Dithiane-,2,5-diol,2,5-dimethyl- (6CI);2,5-Dihydroxy-2,5-dimethyl-1,4-dithiane;2,5-Dimethyl-1,4-dithian-2,5-diol;2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane;2,5-Dimethyl-[1,4]dithiane-2,5-diol;NSC 176174;2.5-Dimethyl-2.5-dihydroxy-1.4-dithane;

Article Data 3

Dimeric mercapto propanone Chemical Properties

IUPAC Name: 2,5-Dimethyl-1,4-dithiane-2,5-diol  
Empirical Formula: C6H12O2S2
Molecular Weight: 180.2883g/mol
EINECS: 259-770-3 
Structure of 1,4-Dithiane-2,5-diol,2,5-dimethyl- (CAS NO.55704-78-4):

Index of Refraction: 1.609
Molar Refractivity: 47.17 cm3
Molar Volume: 136.2 cm3
Polarizability: 18.7×10-24cm3
Surface Tension: 55.6 dyne/cm
Density: 1.323 g/cm3
Flash Point: 159.1 °C
Enthalpy of Vaporization: 65.95 kJ/mol
Boiling Point: 326.8 °C at 760 mmHg
Vapour Pressure: 1.6E-05 mmHg at 25 °C 
Melting Point: 64 °C
FEMA: 3450
storage temp.: Refrigerator (+4 °C)
Water Solubility: slightly soluble
Physical Appearance: white to light yellow powder 
Product Categories: API intermediates;aldehyde Flavor;Sulfides flavors
Canonical SMILES: CC1(CSC(CS1)(C)O)O
InChI: InChI=1S/C6H12O2S2/c1-5(7)3-10-6(2,8)4-9-5/h7-8H,3-4H2,1-2H3
InChIKey: NHKIYYMFGJBOTK-UHFFFAOYSA-N

Dimeric mercapto propanone Safety Profile

Hazard Codes: FlammableF;IrritantXi
Risk Statements: 11-36/37/38 
R11:Highly flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-37/39
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.

Dimeric mercapto propanone Specification

  1,4-Dithiane-2,5-diol,2,5-dimethyl- , its cas register number is 55704-78-4. It also can be called 2,5-Dimethyl-1,4-dithiane-2,5-diol ; 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane ; 2,5-Dimethyl-2,5-dihydroxy-p-dithiane ; 2,5-Dimethyl-p-dithiane-2,5-diol ; 2-Mercaptopropanone . 1,4-Dithiane-2,5-diol,2,5-dimethyl- (CAS NO.55704-78-4) is highly flammable so that you should keep it away from sources of ignition. 

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