(3-Mercaptopropyl)trimethoxysilane (HCID 20473)

Überblick

See also: 1-Propanethiol, 3-(trimethoxysilyl)-, homopolymer (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: (3-Mercaptopropyl)trimethoxysilane
IUPAC: 3-trimethoxysilylpropane-1-thiol
Lokaler Name: p-Mercaptopropyltrimethoxysilan
Englischer Name: Trimethoxysilylpropanethiol
Summenformel: C6H16O3SSi
Molmasse: 196.34

Namen und Synonyme

4420-74-0(3-Mercaptopropyl)trimethoxysilane3-Mercaptopropyltrimethoxysilane3-(Trimethoxysilyl)propanethiol1-Propanethiol, 3-(trimethoxysilyl)-Silquest A 1893-(Trimethoxysilyl)-1-PropanethiolProsil 196Silane A 189(3-Thiopropyl)trimethoxysilaneNUCA 1893-(Sulfanylpropyl)trimethoxysilane

Weitere Namen anzeigen

Mercaptopropyltrimethoxysilaneγ-Mercaptopropyltrimethoxysilanekbm803kbe803Dynasylan MTMOgf70m8500A 189

M 8500 (coupling agent)3-(Trimethoxysilyl)propyl mercaptanA 189 (silicone)KBE 803KBM 803GF 70TSL 8380(gamma-mercaptopropyl)trimethoxysilane

Datenbank-Bezeichner

CAS: 4420-74-0
PubChem CID: 20473
DTXSID: DTXSID2044428
ChEMBL: CHEMBL3185147
UNII: 8CB1M08OIW
EC Number: 224-588-5
Nikkaji: J8.721A

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 28,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 11
Formalladung: 0
Komplexität: 89,6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesMetals -> Metalloid Compounds (Silicon)

Density1.015 @25 °C

Physical Description · 2 Einträge

Liquid

Colorless liquid with a stench; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -50 °C · <-50°C
Siedepunkt: 213 · 213-215 °C(lit.)
Dichte: 1.057 g/mL · 1.057 g/mL at 25 °C(lit.)
Dampfdruck: 0.2 hPa · 0.2 hPa (20 °C)
Brechungsindex: 20 · n20/D 1.444(lit.)
Flammpunkt: 204 °F · 204 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Miscible with methanol, ethanol, isopropanol, acetone, benzene, toluene and xylene.
pka: 10.47 · 10.47±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow
Wichte: 1.04 · 1.04
Geruch (Odor): Slightly mercaptan odor
Wasserlöslichkeit: decomposes
BRN: 2038119 · 2038119
Stabilität: Stable, but moisture sensitive - may decomposes on exposure to moist air. Incompatible with water, alcohols, strong oxidizing agents, strong acids.
Kosmetik-Inhaltsstoffe Funktionen: NAIL CONDITIONING
InChI: 1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3
InChIKey: UUEWCQRISZBELL-UHFFFAOYSA-N
SMILES: CO[Si](CCCS)(OC)OC
LogP: -1.4 · -1.4-1.7 at 20℃
CAS Datenbank: 4420 · 4420-74-0(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Propanethiol, 3-(trimethoxysilyl)-(4420-74-0)
EPA chemische Informationen: 1 · 1-Propanethiol, 3-(trimethoxysilyl)- (4420-74-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 4.4% (21 of 481) of reports.

Warning

H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 481 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1-Propanethiol, 3-(trimethoxysilyl)-

1-Propanethiol, 3-(trimethoxysilyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanethiol, 3-(trimethoxysilyl)- 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: 03-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/23529

3-(Trimethoxysilyl)-1-propanethiol: 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 SummaryA mild skin irritant; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 3-Chloropropyltrimethoxysilane.

Hazard Classes and CategoriesAcute Tox. 4 (94%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

2.2 [mg/m3]

24 [mg/m3]

150 [mg/m3]

Sicherheitsdaten

F: 1-10-13
wgk: 2
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
hs_code: 29310095
RTECS-Nr.: TZ7800000
risk_code: 22-43-51/53
Toxizität: LD50 orally in Rabbit: 774 mg/kg LD50 dermal Rabbit 2268 mg/kg
hazard_code: Xn,N
safety_code: 24/25-36/37-61-57-37-24
hazard_class: 9
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Skin Sens. 1
Selbstentzündungstemperatur: 235 °C

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as a coupling agent in polysulfide and polyurethane caulks and sealants; [REPROTOX]

U.S. Production2023: 75,000 - <100,000 lb

Industry UsesAdhesion/cohesion promoter

General Manufacturing Information · 2 Einträge

Rubber Product Manufacturing

1-Propanethiol, 3-(trimethoxysilyl)-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden(3-Mercaptopropyl)trimethoxysilane is used as a capping molecule for cadmium sulphide nanocrystals. It is used in the preparation of multi-walled carbon nanotubes and bilayer modified gold electrode. It acts as a linker molecule used in the preparation of gold multilayers and as a molecular adhesive in the fabrication of vapor-deposited gold electrodes on glass substrates. It is also used as a precursor for silica.

Darstellung

synthetische(3-Mercaptopropyl)trimethoxysilane was prepared by using thiourea and 3-chloropropyltrimethoxysilane as raw materials, petroleum ether as solvent, KI as catalyst, and ethylenediamine as neutraliser.