Grundinformationen
- CAS
556-91-2- Standard-SMILES
CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3]- InChIKey
MDDPTCUZZASZIQ-UHFFFAOYSA-N- Summenformel
- C12H27AlO3
- Durchschnittliche Molmasse
- 246,32 g/mol
- Monoisotopische Masse
- 246,17755835
Namen und Bezeichner
- Bevorzugter Name
- Aluminum tert-butoxide
- IUPAC
- aluminum tris(2-methylpropan-2-olate)
- Lokaler Name
- Aluminiumtri-tert-butanolat
- Englischer Name
- Aluminum tert-butoxide
- Summenformel
- C12H27AlO3
- Molmasse
- 246.32
Namen und Synonyme
Aluminum tert-butoxide556-91-2Aluminum tert-butylateAluminum tri-tert-butoxideAluminum tert-butanolateTri-tert-butoxyaluminumaluminum t-butoxide6D623JMP3Rtert-Butyl alcohol, aluminum saltUNII-6D623JMP3RDTXSID4060313Aluminum, tri-tert-butoxy-
Weitere Namen anzeigen
ALUMINIUM TRI-TERT-BUTOXIDEuminum tert-butoxideAlumiuniumt-butoxide,Aluminium t-ButoxideALUMINUM(III)T-BUTOXIDEALUMINUM TRI-T-BUTOXIDE
ALUMINUM TERT-BUTOXIDE [MI]Aluminum, tris-tert-butoxy-NSC 4648NSC-4648ALUMINUM TRIS(TERT-BUTOXIDE)ALUMINUM TRIS(TERT-BUTYLATE)EINECS 209-146-12-Propanol, 2-methyl-, aluminum salt (3:1)
Datenbank-Bezeichner
- CAS
556-91-2- PubChem CID
- 68399
- DTXSID
DTXSID4060313- UNII
- 6D623JMP3R
- EC Number
- 209-146-1
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 69,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 25,1
Physikochemische Eigenschaften
- Schmelzpunkt
- 241 °C · 241°C
- Siedepunkt
- 156 °C · 156°C 2mm
- Dichte
- 1 · 1,0251 g/cm3
- Flammpunkt
- 65 °C · >65°C
- Löslichkeit
- Very soluble in organic solvents like alcohols, benzene, toluene and xylene.
- Aggregatzustand
- Powder
- Farbe
- White to Gray
- Merck
- 14 · 14,333
- BRN
- 4148229 · 4148229
- Stabilität
- Stable, but air and moisture sensitive. Incompatible with acids, strong oxidizing agents. Highly flammable.
- InChI
- 1S/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3
- InChIKey
- MDDPTCUZZASZIQ-UHFFFAOYSA-N
- SMILES
- CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C
- CAS Datenbank
- 556 · 556-91-2(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Propanol, 2-methyl-, aluminum salt (556-91-2)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information2-Propanol, 2-methyl-, aluminium salt: HSNO Approval: HSR001428 Approved with controls
Hazard Classes and CategoriesFlam. Sol. 2 (100%)
Sicherheitsdaten
- F
- 8-21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2925 4.1/PG 2
- hs_code
- 29051990
- risk_code
- 11-34
- hazard_code
- F,C
- safety_code
- 8-16-26-36/37/39-45
- hazard_class
- 4.1
- packing_group
- III
- Speicherklasse
- 4.1B - Flammable solid hazardous materials
- Hazard Classifications
- Flam. Sol. 1Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information2-Propanol, 2-methyl-, aluminum salt (3:1): ACTIVE
Anwendungen
VerwendenAluminum tert-butoxide is utilized as a reagent in the Oppenauer oxidation of alcohols to ketones. It is also used in Meerwein-Ponndorf-Verley reduction of ketones. It is actively involved in the preparation of 1,1,2-triethoxyethene by reacting with 1,1,2,2-tetraethoxyethane followed by the elimination of alcohol.
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