1-Propanethiol, 3-(triethoxysilyl)-
Basic information
- CAS
14814-09-6- Standard SMILES
CCO[Si](CCCS)(OCC)OCC- InChIKey
DCQBZYNUSLHVJC-UHFFFAOYSA-N- Molecular formula
- C9H22O3SSi
- Average molar mass
- 238.42 g/mol
- Monoisotopic mass
- 238.10589209
Names & identifiers
- Preferred name
- 1-Propanethiol, 3-(triethoxysilyl)-
- IUPAC
- 3-triethoxysilylpropane-1-thiol
- English name
- 3-Mercaptopropyltriethoxysilane
- Molecular formula
- C9H22O3SSi
- Molecular weight
- 238.42
Names & synonyms
14814-09-6(3-Mercaptopropyl)triethoxysilane1-Propanethiol, 3-(triethoxysilyl)-3-(triethoxysilyl)propane-1-thiol3-(Triethoxysilyl)propanethiolTriethoxy(3-mercaptopropyl)silane(gamma-Mercaptopropyl)triethoxysilaneDTXSID70444793-(Triethoxysilyl)propyl mercaptanEINECS 238-883-1Silane, (3-mercaptopropyl)triethoxy-BRN 2039575
Show more names
kh590Mercaptosilane OligomerDK547A-1891DKSI182Dynasylan 3201Co-Formula CFS-0963-MercaptopropyltrieSilane coupling agent KH-5803-(triethoxysilyl)-propanethio
Z069RX894NPropanethiol, 3-(triethoxysilyl)-DTXCID5024479EC 238-883-1RefChem:4361973(Triethoxysilyl)propanethiolPropanethiol, 3(triethoxysilyl)Triethoxy(3mercaptopropyl)silane
Database identifiers
- CAS
14814-09-6- PubChem CID
- 84658
- DTXSID
DTXSID7044479- ChEMBL
CHEMBL3188191- UNII
- Z069RX894N
- EC Number
- 238-883-1
- Nikkaji
- J227.201F
Properties
Computed structural properties
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
Chemical ClassesMetals -> Metalloid Compounds (Silicon)
Physical Description
Liquid
Colorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 210 °C · 210 °C
- Density
- 0.987 g/mL · 0.987 g/mL at 20 °C (lit.)
- vapor pressure
- 0 · 0-7910Pa at 25℃
- refractive index
- 1.4331 · 1.4331
- Flash point
- 88 °C · 88°C
- storage temp.
- 2 · 2-8°C
- pka
- 10.39 · 10.39±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.932 · 0.932
- Viscosity
- 1.8 mm2/s · 1.8mm2/s
- Water Solubility
- Hydrolyzes slowly in water.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 20.6% (52 of 253) of reports.
Warning
H315 (23.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 253 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Propanethiol, 3-(triethoxysilyl)-
1-Propanethiol, 3-(triethoxysilyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanethiol, 3-(triethoxysilyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5391
1-Propanethiol, 3-(triethoxysilyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryIntraperitoneal LD50 (mouse) = 3,000 mg/kg; [RTECS] Slowly hydrolyzed by water; A skin and strong eye irritant; [Alfa Aesar MSDS] See (3-Mercaptopropyl)trimethoxysilane.
Hazard Classes and CategoriesSkin Irrit. 2 (23.7%)
Chemistry & industry
Uses & manufacturing
UsesUsed as an intermediate, in polymer and tire manufacture, and as a laboratory reagent; [ExPub: ECHA REACH Registrations]
U.S. Production2023: 100,000 - <250,000 lb
Industry UsesMonomers
General Manufacturing Information
Rubber Product Manufacturing
1-Propanethiol, 3-(triethoxysilyl)-: ACTIVE
Applications
UsesIt can improve the properties of the mineral-filled elastomer, including modulus, tensile and tear strength, heat buildup, abrasion resistance, resilience. It can be used as a pretreatment on minerals or added at the time of compounding. Mineral-reinforced rubbers such as shoe soles, rollers, wheels, white sidewalls, wire and cable insulation are the common case (3-Mercaptopropyl)triethoxysilane, could be used in. It also finds it uses as an intermediate, in polymer and tire manufacture, and as a laboratory reagent.
Upstream & downstream products
Upstream raw materials
Related reactions
34 records
Compound notes
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