Name: Dimeric mercapto propanone
SKU: 55704-78-4

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Basic Information

Molecular Structure:
CAS No.:	55704-78-4
Name:	Dimeric mercapto propanone
Article Data:	3

Formula:	C₆H₁₂O₂S₂
Molecular Weight:	180.292
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;
EINECS:	259-770-3
Density:	1.323 g/cm³
Melting Point:	64 °C
Boiling Point:	326.8 °C at 760 mmHg
Flash Point:	159.1 °C
Solubility:	slightly soluble in water
Appearance:	white to light yellow powder
Hazard Symbols:	F,Xi
Risk Codes:	11-36/37/38
Safety:	16-26-37/39
PSA:	91.06000
LogP:	0.88340

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Chemistry

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

Safety Profile

Hazard Codes: F; Irritant Xi
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.

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.