Triethoxy(3-isocyanatopropyl)silane
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Basic information
- CAS
24801-88-5- Standard SMILES
CCO[Si](CCCN=C=O)(OCC)OCC- InChIKey
FRGPKMWIYVTFIQ-UHFFFAOYSA-N- Molecular formula
- C10H21NO4Si
- Average molar mass
- 247.36 g/mol
- Monoisotopic mass
- 247.12398468
Names & identifiers
- Preferred name
- Triethoxy(3-isocyanatopropyl)silane
- IUPAC
- triethoxy(3-isocyanatopropyl)silane
- English name
- 3-Isocyanatopropyltriethoxysilane
- Molecular formula
- C10H21NO4Si
- Molecular weight
- 247.36
Names & synonyms
3-IsocyanatopropyltriethoxysilaneTriethoxy(3-isocyanatopropyl)silane(3-Isocyanatopropyl)triethoxysilane3-(Triethoxysilyl)propyl isocyanateSilane, triethoxy(3-isocyanatopropyl)-DTXSID4038847EINECS 246-467-6Isocyanic acid, 3-(triethoxysilyl)propylesterUNII-9BR6002P6E9BR6002P6Etriethoxysilylpropyl isocyanateDTXCID2018847
Show more names
IsocyanatopropyltriethoxysilaneKH-907ICPTES3-isocyanatepropyltriethoxysilanei7840y9030FC-25yh9030
EC 246-467-6.gamma.-Isocyanopropyltriethoxysilane3-ISOCYANANOPROPYLTRIETHOXYSILANE3-(ISOCYANOPROPYL)TRIETHOXYSILANE1-(TRIETHOXYSILYL)-3-ISOCYANATOPROPANETRIETHOXY(.GAMMA.-ISOCYANATOPROPYL)SILANE.GAMMA.-(TRIETHOXYSILYL)PROPYL ISOCYANATERefChem:191503
Database identifiers
- CAS
24801-88-5- PubChem CID
- 90613
- DTXSID
DTXSID4038847- ChEMBL
CHEMBL3187620- UNII
- 9BR6002P6E
- EC Number
- 246-467-6
- Nikkaji
- J195.937I
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 202
Experimental & physicochemical properties
Chemical ClassesMetals -> Metalloid Compounds (Silicon)
Physical Description
Liquid
Liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 0 °C · <0°C
- Boiling point
- 283 °C · 283 °C(lit.)
- Density
- 0.999 g/mL · 0.999 g/mL at 25 °C(lit.)
- vapor pressure
- 0 · 0-7910Pa at 20-25℃
- refractive index
- 20 · n20/D 1.42(lit.)
- Flash point
- 171 °F · 171 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- Specific Gravity
- 0.999 · 0.999
- color
- Clear colorless to yellow
- Viscosity
- 1.6 mm2/s · 1.6mm2/s
- Water Solubility
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 10.8% (22 of 203) of reports.
Danger
H302+H312 (22.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P342+P316, P362+P364, P363, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 203 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Silane, triethoxy(3-isocyanatopropyl)-
Silane, triethoxy(3-isocyanatopropyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Silane, triethoxy(3-isocyanatopropyl)- 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: 01-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16621
Silane, triethoxy(3-isocyanatopropyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards Summary
A severe eye and moderate skin irritant; Causes irritability, acute pulmonary edema, and dermatitis in dermal lethal-dose studies of rabbits; Causes conjunctival irritation, focal lung fibrosis, and hemorrhage in inhalation lethal-concentration studies of rats; Causes somnolence, dyspnea, and other GI changes in oral lethal-dose studies of rats; [RTECS] Causes burns and lachrymation; May cause respiratory sensitization; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Highly toxic by inhalation; Harmful by ingestion and skin absorption; Targets the liver and nerves; [Sigma-Aldrich MSDS]
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesAdhesion/cohesion promoter
General Manufacturing Information
Paint and Coating Manufacturing
Silane, triethoxy(3-isocyanatopropyl)-: ACTIVE
Applications
Description3-isocyanatepropyltriethoxysilane is an isocyanate functional silane. It is used for the functionalization of numerous compounds with active hydrogen atoms. It hydrolyzes in the presence of moisture to form silanols, which can react with themselves to produce siloxanes. 3-isocyanatepropyltriethoxysilane is mainly applied in these aspects: As crosslinkers for one part moisture curable urethane adhesives, sealants and coatings. As adhesion promoters for one part moisture curable and two part reactive urethane systems. As adhesion promoters for silicone sealants or coatings, to enhance adhesion to organic substrates with active hydrogen atoms. It can provide good wet adhesion to glass, metal and other inorganic substrates, and can provide good thermal, chemical and UV stable performance. It hydrolyzes slower than SiSiB® PC2710, SiSiB® PC2720 is better for applications requring greater open time or enhanced shelf stability.
Uses3-Isocyanatopropyltriethoxysilane is used in preparation of antistatic adhesive and liquid crystal display device.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
30 records
Compound notes
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