| Identification | More | [Name]
3,6-DIOXA-1,8-OCTANEDITHIOL | [CAS]
14970-87-7 | [Synonyms]
1,2-BIS(2-MERCAPTOETHOXY)ETHANE
1,8-DIMERCAPTO-3,6-DIOXAOCTANE
3,6-DIOXA-1,8-OCTANEDITHIOL
ETHYLENE GLYCOL BIS(2-MERCAPTOETHYL) ETHER
2,2’-(ethylenedioxy)diethanethiol
2,2’-[1,2-ethanediylbis(oxy)]bis-ethanethio
2,2’-[1,2-ethanediylbis(oxy)]bis-Ethanethiol
Triglycoldimercaptan
Triethyleneglycol dimrcaptan
Ethanethiol, 2,2-1,2-ethanediylbis(oxy)bis-
2,2′-[1,2-Ethandiylbis(oxy)]bis(ethanthiol)
2,2'-[1,2-ethanediylbis(oxy)]bis-Ethanethiol Triglycol dimercaptan 2,2'-[1,2-ethanediylbis(oxy)]bis-ethanethio 2,2'-(ethylenedioxy)diethanethiol
Triethyleneglycol dimercaptan
1,2-Bis(2-mercaptoethoxy)ethane, 3,6-Dioxa-1,8-octane-dithiol
2,2'-(Ethylenebisoxy)bisethanethiol
2,2'-Ethylenebis(oxy)bis(ethanethiol)
3,6-Dioxa-1,8-octanebisthiol | [EINECS(EC#)]
239-044-2 | [Molecular Formula]
C6H14O2S2 | [MDL Number]
MFCD00015873 | [Molecular Weight]
182.3 | [MOL File]
14970-87-7.mol |
| Chemical Properties | Back Directory | [Boiling point ]
225 °C(lit.)
| [density ]
1.12 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.39Pa at 20℃ | [refractive index ]
n20/D 1.509(lit.)
| [Fp ]
132 °C | [storage temp. ]
RT, stored under nitrogen | [solubility ]
Slightly soluble in water | [form ]
clear liquid | [pka]
9.34±0.10(Predicted) | [color ]
Colorless to Light yellow to Light orange | [Water Solubility ]
11.4g/L at 19.8℃ | [BRN ]
1901671 | [InChI]
InChI=1S/C6H14O2S2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2 | [InChIKey]
HCZMHWVFVZAHCR-UHFFFAOYSA-N | [SMILES]
C(OCCS)COCCS | [LogP]
1.6 at 55℃ | [CAS DataBase Reference]
14970-87-7(CAS DataBase Reference) | [EPA Substance Registry System]
Ethanethiol, 2,2'-[1,2-ethanediylbis(oxy)]bis- (14970-87-7) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS06,GHS09 | [Signal word ]
Danger | [Hazard statements ]
H301-H332-H410 | [Precautionary statements ]
P261-P264-P270-P273-P301+P310-P304+P340+P312 | [Hazard Codes ]
T | [Risk Statements ]
R22:Harmful if swallowed.
R23:Toxic by inhalation.
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2810 6.1/PG 3
| [WGK Germany ]
2
| [TSCA ]
TSCA listed | [REACH Registrations]
Active | [HS Code ]
29309090 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral
Acute Tox. 4 Inhalation
Aquatic Acute 1
Aquatic Chronic 1 |
| Hazard Information | Back Directory | [Uses]
3,6-dioxa-1,8-octanedithiol (DODT) was used for cleaving peptides in the study to develop synthetic peptide serology to treat chronic chagas disease. DODT may be used to develop non-malodorous scavenger in Fmoc-based peptide synthesis. | [Definition]
3,6-dioxa-1,8-octanedithiol is a dithiol monomer. This compound could be chosen as a model compound for the active sites of thioredoxins to study its reactions with cis-[Pt(NH3)2Cl4] and trans-[PtCl2(CN)4]2– (cisplatin prodrug and a model complex). The pKa values for the dithiol were characterized to be 8.7 ± 0.2 and 9.6 ± 0.2 at 25.0 °C and an ionic strength of 1.0 M. Triethylamine (TEA) and dilute H2O2 could catalyze the new Radical Ring-opening Redox Polymerization (R3P) of 3,6-dioxa-1,8-octanedithiol[1-2].
| [Synthesis Reference(s)]
The Journal of Organic Chemistry, 33, p. 1275, 1968 DOI: 10.1021/jo01267a089
Triglycol dimercaptan | [General Description]
3,6-dioxa-1,8-octanedithiol is non volatile in nature. | [References]
[1] DONGYING MA. Formation of peptide disulfide bonds through a trans-dibromido-Pt(IV) complex oxidation reaction: Kinetic and mechanistic analyses[J]. Journal of Molecular Liquids, 2021. DOI:10.1016/j.molliq.2020.115195.
[2] ROSENTHAL-KIMEMILY Q PuskasJudit E. Green polymer chemistry: investigating the mechanism of radical ring-opening redox polymerization (R3P) of 3,6-dioxa-1,8-octanedithiol (DODT).[J]. Molecules, 2015. DOI:10.3390/molecules20046504. |
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