| Identification | More | [Name]
p-Dithiane-2,5-diol | [CAS]
40018-26-6 | [Synonyms]
1,4-DITHIANE-2,5-DIOL
2,5-DIHYDROXY-1,4-DITHIANE
4-DITHIANE-2,5-DIOL
DITHIANE
FEMA 3826
LABOTEST-BB LT00138118
MERCAPTOACETALDEHYDE DIMER
MERCATOACETALDEHYDE DIMER
p-Dithiane-2,5-diol
2 5-DIHYDROXY-1 4-DITHIANE 97+% MIXTU&
2,5-DIHYDROXY-1,4-DITHIANE, WACKERQUALIT Y
2,5-Dihydroxy-1,4-dithiane, pract., 95+%
2,5-dimethyl-1,4-dithiane
tetrahydro-p-dithiin
2,5-DIHYDROXY-1,4-DITHIANE, 90+%
1,4-dithane-2,5-diol
1,4-Dithiane-2,5-diol, 2,5-Dihydroxy-1,4-dithiane, Mercaptoacetaldehyde dimer
2,5-Dihydroxy-1,4-dithiane, Mercaptoacetaldehyde dimer | [EINECS(EC#)]
254-751-6 | [Molecular Formula]
C4H8O2S2 | [MDL Number]
MFCD00006659 | [Molecular Weight]
152.24 | [MOL File]
40018-26-6.mol |
| Chemical Properties | Back Directory | [Appearance]
white to yellowish crystalline powder | [Melting point ]
130 °C (dec.) (lit.) | [Boiling point ]
244.73°C (rough estimate) | [density ]
1.224 (estimate) | [vapor pressure ]
0Pa at 25℃ | [FEMA ]
3826 | [refractive index ]
1.5200 (estimate) | [storage temp. ]
2-8°C
| [solubility ]
H2O: 0.39% at 20 °C
| [form ]
Crystalline Powder | [pka]
12.04±0.40(Predicted) | [color ]
White to yellow | [Odor]
at 0.10 % in propylene glycol. sulfury meaty toasted bread broth egg tomato | [PH]
4.9 (3.9g/l, H2O) | [Odor Type]
sulfurous | [Water Solubility ]
3.9 g/L (20 ºC) | [JECFA Number]
550 | [BRN ]
104402 | [InChIKey]
YUIOPHXTILULQC-UHFFFAOYSA-N | [LogP]
-0.276 at 22.8℃ and pH6.3 | [CAS DataBase Reference]
40018-26-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R41:Risk of serious damage to eyes.
R43:May cause sensitization by skin contact.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37/39:Wear suitable gloves and eye/face protection .
S24:Avoid contact with skin .
S36:Wear suitable protective clothing . | [RIDADR ]
UN2811 | [WGK Germany ]
2
| [F ]
1-8-10-13 | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29349990 |
| Hazard Information | Back Directory | [Chemical Properties]
2,5-Dihydroxy-1,4-dithiane has a sulfurous, meaty, toasted bread-like odor | [Chemical Properties]
white to yellowish crystalline powder | [Uses]
1,4-Dithiane-2,5-diol is a hydroxylated dithiane derivative with phytogrowth-inhibitory and antibacterial activities. | [Definition]
ChEBI: 1,4-Dithiane-2,5-diol is a member of dithianes. | [Aroma threshold values]
Aroma characteristics at 0.1% EtoH: sulfurous, grilled meaty, pungent, brothy, eggy, heavy and rich,
toasted bread, tomato | [Taste threshold values]
Taste characteristics at 0.25 to 10 ppm: metallic, meaty savory chicken and beef, sulfurous,
egg-yolk-like | [Synthesis Reference(s)]
Synthetic Communications, 14, p. 483, 1984 DOI: 10.1080/00397918408059569 | [General Description]
1,4-Dithiane-2,5-diol undergoes bifunctional squaramide catalyzed sulfa-Michael/aldol cascade reaction with chalcones to afford trisubstituted tetrahydrothiophenes. It participates in diastereoselective [3+3] cycloaddition with azomethine imines catalyzed by 1,4-diazabicyclo[2.2.2]octane. It is a mercaptoacetaldehyde dimer and an efficient synthon for incorporating a thiol group to in situ generated nitroalkenes. |
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