Triethoxy(3-isocyanatopropyl)silane (HCID 90613)

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 properties

Topological polar surface area: 57.1 Å²
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 · 2 items

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: Hydrolyzes in water.
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
Sensitive: Moisture Sensitive
BRN: 4404652 · 4404652
InChI: 1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3
InChIKey: FRGPKMWIYVTFIQ-UHFFFAOYSA-N
SMILES: CCO[Si](CCCN=C=O)(OCC)OCC
LogP: -4 · -4--0.3 at 20℃
CAS DataBase Reference: 24801 · 24801-88-5(CAS DataBase Reference)
FDA UNII: 9 BR6002P6E · 9BR6002P6E
EPA Substance Registry System: Silane, triethoxy(3-isocyanatopropyl)- (24801-88-5)
UNSPSC Code: 12352103 · 12352103
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06,GHS08
Signal word: Danger
Hazard statements: 302 · H302+H312-H314-H317-H330-H334
Precautionary statements: 260 · P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: T+
Risk Statements: 21 · 21/22-26-34-42
Safety Statements: 23 · 23-26-28-36/37/39-45
RIDADR: 3390 · UN 3390 6.1/PG 1
WGK Germany: 3 · 3
RTECS: 6691000 · VV6691000
F: 10 · 10-19-21
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29319090 · 29319090
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 1 InhalationAcute · Acute Tox. 1 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
Toxicity: 50 oral · LD50 oral in rat: 707uL/kg
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

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 · 4 items

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 · 1 item

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]

Hazard Classes and CategoriesAcute Tox. 4 (87.7%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Toxicity DataLC50 (rat) = 360 mg/m3/4hr

Safety data

F: 10-19-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: VV6691000
ridadr: UN 3390 6.1/PG 1
hs_code: 29319090
Toxicity: LD50 oral in rat: 707uL/kg
risk_code: 21/22-26-34-42
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS08
hazard_code: T+
safety_code: 23-26-28-36/37/39-45
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: III
Hazard statements: H302+H312-H314-H317-H330-H334
REACH Registrations: Active
Hazard Classifications: Acute Tox. 1 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Resp. Sens. 1Skin Corr. 1BSkin Sens. 1
Precautionary statements: P260-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesAdhesion/cohesion promoter

General Manufacturing Information · 2 items

Paint and Coating Manufacturing

Silane, triethoxy(3-isocyanatopropyl)-: ACTIVE

Applications · 2 items

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.