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4,4,15,15-Tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane

HCID 162012
NotesReactions

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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
40372-72-3
Standard SMILES
CCO[Si](CCCSSSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIKey
VTHOKNTVYKTUPI-UHFFFAOYSA-N
Molecular formula
C18H42O6S4Si2
Average molar mass
538.968 g/mol
Monoisotopic mass
538.14027612

Names & identifiers

Preferred name
4,4,15,15-Tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane
IUPAC
4,4,15,15-Tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane
English name
Bis[3-(triethoxysilyl)propyl]tetrasulfide
Molecular formula
C18H42O6S4Si2
Molecular weight
538.95

Names & synonyms

TESPTA-1289BIS(3-(TRIETHOXYSILYL)PROPYL)TETRASULFIDEBIS [3-(TRIETHOXYSILYL )PROPYL ] TETRASULPHIDEKHSI69Z-6940CG-Si69KBE-846C36H30Cl2NiP2CouplingagentG-407

Database identifiers

CAS
40372-72-3
PubChem CID
162012
DTXSID
DTXSID3029362
ChEMBL
CHEMBL3188179
UNII
J98V193ZRY
EC Number
254-896-5
Nikkaji
J36.779F

Properties

Physicochemical properties

Boiling point
250 °C · 250 °C
Density
1.08 g/mL · 1.08 g/mL at 20 °C(lit.)
refractive index
20 · n20/D 1.49
Flash point
91 °C · 91°C
storage temp.
2 · 2-8°C, stored under nitrogen
form
Liquid
Specific Gravity
1.095 · 1.095
Appearance
Colorless to light yellow Liquid
Water Solubility
Miscible with toluene, primary alcohols, ketones, benzene, chlorinated hydrocarbons, acetonitrile, dimethylformaminde and dimethysulfoxide. Immiscible with water.
Hydrolytic Sensitivity
7 · 7: reacts slowly with moisture/water
BRN
2062235 · 2062235
InChI
InChI=1S/C18H42O6S4Si2/c1-7-19-29(20-8-2,21-9-3)17-13-15-25-27-28-26-16-14-18-30(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3
InChIKey
VTHOKNTVYKTUPI-UHFFFAOYSA-N
SMILES
CCO[Si](OCC)(OCC)CCCSSSSCCC[Si](OCC)(OCC)OCC
CAS DataBase Reference
40372 · 40372-72-3(CAS DataBase Reference)
FDA UNII
98 V193ZRY · J98V193ZRY
EPA Substance Registry System
3 · 3,16-Dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane, 4,4,15,15-tetraethoxy- (40372-72-3)
UNSPSC Code
12352103 · 12352103
NACRES
22 · NA.22
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE
Eyeshields, Gloves
wgk
1
tsca
TSCA listed
hs_code
29309090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
23-24/25
Storage Class
10 - Combustible liquids
Hazard statements
H315-H319-H335
Precautionary statements
P261-P271-P280

Chemistry & industry

Applications · 3 items

UsesBis[3-(triethoxysilyl)propyl]tetrasulfide is a silylating coupling agent and modifier, and has been used in the design of a new generation of sustainable self-healing styrene-butadiene compounds.

UsesBis[3-(triethoxysilyl)propyl]tetrasulfide is used in radial tires, rubber tire treads, carcass, tire walls, solid rubber tires and other rubber products. It acts as a chemical intermediate and as a cross linking agent. Furthermore, it acts as a coupling agent used to chemically modify silica surface. In addition, it serves as a curing agent for good heat aging.

UsesBis[3-(triethoxysilyl)propyl] tetrasulfide (TESPTS) is generally used as a crosslinking agent and reinforcing filler in the manufacturing of rubber. TESPT film provides corrosion protection to the metallic substrates. It is also used as a precursor in the synthesis of mesoporous organosilicas.

Preparation methods · 1 item

PreparationThe synthesis of bis-[3-(triethoxysilyl)propyl]-tetrasulfide is mainly based on the catalytic reaction of trichlorosilane and allyl chloride. Using trichlorosilane and allyl chloride as raw materials, γ-chloropropyltrichlorosilane is synthesized via a catalytic reaction. This step is crucial to the synthesis process, requiring precise control of reaction conditions and catalyst selection to ensure product purity and yield. The obtained γ-chloropropyltrichlorosilane undergoes alcoholysis to generate γ-chloropropyltriethoxysilane. The alcoholysis reaction is typically carried out in anhydrous ethanol, with heating and stirring promoting the reaction. Finally, γ-chloropropyltriethoxysilane is reacted with a sulfide under specific conditions to generate bis-[3-(triethoxysilyl)propyl]-tetrasulfide. This step requires strict control of reaction temperature and time to ensure product quality and yield.

Upstream & downstream products

Upstream raw materials

Sodium polysulfide

Suppliers

Related reactions

1 records
New reaction record
HRID 268105 reaction equation
HRID 268105As productuspto-grants-1976_03

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P271-P280
PPE
Eyeshields, Gloves
Hazard Codes
Xi
Safety Statements
23 · 23-24/25
WGK Germany
1 · 1
TSCA
TSCA listed
HS Code
29309090 · 29309090
Storage Class
10 · 10 - Combustible liquids
100 total
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