Zinnbis(2-ethylhexanoat)
TIN(II) 2-ETHYLHEXANOATE · TIN OCTOATE · Stannous octanoate · STANNOUS 2-ETHYLHEXANOATE · tin bis(2-ethylhexanoate) · TIB KAT 129 · Tin dioctoate · Stannous Octoate T-9
Identifikatoren & physikalische Daten
| CAS No. | 301-10-0 |
|---|---|
| Summenformel | C16.H30.O4.Sn |
| Durchschnittliche Molmasse | 405,1 g/mol |
| Monoisotopische Masse | 406,11660414 g/mol |
| SMILES | CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2] |
| InChIKey | KSBAEPSJVUENNK-UHFFFAOYSA-L |
| PubChem CID | 9318 |
| EC No. | 206-108-6 |
| DTXSID | DTXSID1027138 |
| Lokaler Name | Zinnbis(2-ethylhexanoat) |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 80,3 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 93,9 |
| Stoffklassen | Metals -> Organic Acids, Metal Salts |
| Dichte | 1.251 @25 °C1.251 g/mL at 25 °C(lit.) |
| Dampfdruck | 0.00000001 [mmHg]0.3Pa at 20℃ |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | CBILiquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | <-20°C |
| Siedepunkt | >200°C |
| Brechungsindex | n20/D 1.493(lit.) |
| Flammpunkt | >110°C |
| pKa (Säurekonstante) | 5.09[at 20 ℃] |
| Aggregatzustand | liquid |
| Wichte | 1.251 |
| Farbe | Transparent |
| Löslichkeit | Miscible with water. |
| InChI | 1S/2C8H16O2.Sn/c2*1-3-5-6-7(4-2)8(9)10/h2*7H,3-6H2,1-2H3,(H,9,10)/q+2/p-2 |
| InChIKey | KSBAEPSJVUENNK-UHFFFAOYSA-L |
| SMILES | CCCCC(CC)C(=O)O[SnH2]OC(=O)C(CC)CCCC |
| LogP (Verteilungskoeffizient) | 2.64 at 25℃ |
| CAS Datenbank | 301-10-0(CAS DataBase Reference) |
| EPA chemische Informationen | Stannous 2-ethylhexanoate (301-10-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.2% (2 of 972) of reports.DangerH315 (26.1%): Causes skin irritation [Warning Skin corrosion/irritation]P203, P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 972 reports by companies from 30 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Hexanoic acid, 2-ethyl-, tin(2+) saltHexanoic acid, 2-ethyl-, tin(2+) salt (2:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexanoic acid, 2-ethyl-, tin(2+) salt (2:1) 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: 19-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2082 |
| Weitere Sicherheitsinformationen | IMAP assessments - Hexanoic acid, 2-ethyl-, tin(2+) salt: Human health tier II assessment |
| Gefahrenübersicht | Oral LD50 (rat) = 3,400-5,870 mg/kgCauses mild skin and moderate eye irritation in rabbits[EPA ChAMP: Submissions - Final Summaries] Metal carboxylates readily dissociate in water into the free metal and free acid[EPA ChAMP: Submission] A skin and strong eye irritant[Sigma-Aldrich MSDS] See Tin and inorganic compounds. See 2-Ethylhexanoic acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (26.1%)Eye damage - category 1 |
| Threshold Limit Values (TLV) | 2.0 [mg/m3], as Sn |
| Permissible Exposure Limit (PEL) | 2.0 [mg/m3], as Sn |
| Protective Action Criteria (PAC) | 0.68 [mg/m3]190 [mg/m3]1200 [mg/m3] |
Anwendungen & Verwendung
Verwenden
Stannous octoate is susceptible to hydrolysis and oxidation and cannot be used in combination polyethers (premixes). Its catalytic activity is higher than that of dibutyltin dilaurate.Stannous octoate can be used as a catalyst for polyurethane, mainly in the production of soft block polyether type polyurethane foam, but also as a catalyst for polyurethane coatings, elastomers, room temperature curing silicone rubber, etc. As it is a divalent tin compound, it may be oxidized to tetravalent tin compound itself after foaming, and it remains in the foam body to play the role of an antioxidant, which stays in the foam after foaming and has no adverse effect on the foam performance.
Herstellung & Synthese
synthetische
Stannous octoate is produced by reacting 2-ethylhexanoic acid with sodium hydroxide to form sodium 2-ethylhexanoate, which then undergoes a complex decomposition reaction with stannous chloride by heating in an inert solvent.