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505-29-3

505-29-3 Structure

505-29-3 Structure
IdentificationMore
[Name]

1,4-Dithiane
[CAS]

505-29-3
[Synonyms]

1,4-DITHIANE
FEMA 3831
P-DITHIANE
1,4-Dithiacyclohexane
1,4-Dithiin, tetrahydro-
diethylenedisulfide
para-Dithiane
p-Dithiin, tetrahydro-
1 4-DITHIANE 97+%
DIETHYLENEDISULPHIDE
1,4-DITHIANE 98%
[EINECS(EC#)]

208-007-2
[Molecular Formula]

C4H8S2
[MDL Number]

MFCD00006658
[Molecular Weight]

120.24
[MOL File]

505-29-3.mol
Chemical PropertiesBack Directory
[Appearance]

solid with an extremely unpleasant smell
[Melting point ]

107-113 °C (lit.)
[Boiling point ]

200 °C (lit.)
[density ]

1.062 (estimate)
[FEMA ]

3831
[refractive index ]

1.5981 (estimate)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Sparingly), DMSO (Slightly)
[form ]

solid
[Odor]

at 0.10 % in propylene glycol. sulfurous solvent garlic onion pyridine
[Stability:]

Stable. Incompatible with strong oxidizing agents. Probably combustible.
[Odor Type]

seafood
[Specific Heat Capacity]

Cp(gas):0.912342J/(g·K),at 25℃
[JECFA Number]

456
[Henry's Law Constant]

2.4×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[InChI]

1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2
[InChIKey]

LOZWAPSEEHRYPG-UHFFFAOYSA-N
[SMILES]

C1CSCCS1
[LogP]

1.12
[CAS DataBase Reference]

505-29-3(CAS DataBase Reference)
[NIST Chemistry Reference]

1,4-Dithiane(505-29-3)
[EPA Substance Registry System]

505-29-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

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:Wear suitable protective clothing .
[RIDADR ]

UN 3335
[WGK Germany ]

2
[RTECS ]

JO5069000
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Hazardous Substances Data]

505-29-3(Hazardous Substances Data)
Hazard InformationBack Directory
[Chemical Properties]

1,4-Dithiane has a seafood-like odor and a garlic/onion taste.
[Chemical Properties]

solid with an extremely unpleasant smell
[Uses]

1,4-Dithiane has been studied to be used as a way for more efficient rechargeable iron-?air and nickel-?iron batteries through small addition of organo-sulur compounds to metal electrodes.
[Definition]

ChEBI: A dithiane that is cyclohexane in which the -CH2- units at positions 1 and 2 have been replaced by sulfur atoms.
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-Dithiane(505-29-3)MS
1,4-Dithiane(505-29-3)1HNMR
1,4-Dithiane(505-29-3)13CNMR
1,4-Dithiane(505-29-3)IR1
1,4-Dithiane(505-29-3)IR2
1,4-Dithiane(505-29-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

505-29-3(sigmaaldrich)
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