tetraethylazanium acetate tetrahydrate

• ChemBase ID: 112474
• Molecular Formular: C10H31NO6
• Molecular Mass: 261.35624
• Monoisotopic Mass: 261.21513772
• SMILES: O.O.O.O.CC(=O)[O-].CC[N+](CC)(CC)CC
• Canonical SMILES: [O-]C(=O)C.CC[N+](CC)(CC)CC.O.O.O.O
• InChI: InChI=1S/C8H20N.C2H4O2.4H2O/c1-5-9(6-2,7-3)8-4;1-2(3)4;;;;/h5-8H2,1-4H3;1H3,(H,3,4);4*1H2/q+1;;;;;/p-1
• InChIKey: QNOAKQGNSWGYOE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethylazanium acetate tetrahydrate
• IUPAC Traditional name: acetate ion tetraethylammonium tetrahydrate; tetraethylammonium acetate tetrahydrate
• Synonyms: TETRAETHYLAMMONIUM ACETATE; Tetraethylammonium acetate tetrahydrate; 四乙基醋酸铵 四水合物

Database IDs

• CAS Number: 1185-59-7; 67533-12-4
• EC Number: 214-687-1
• MDL Number: MFCD00149993
• Beilstein Number: 3574285
• PubChem SID: 24852209; 162097648; 24888702
• PubChem CID: 2724098

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.5449352
• LogD (pH = 7.4): -2.5449352
• Log P: -2.5449352
• Molar Refractivity: 54.8961 cm^3
• Polarizability: 16.958946 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 42-44 °C; 42-46 °C(lit.)
• Flash Point: 140 °F; 60 °C

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H228
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: ≥99.0% (NT); 99%
• Grade: purum
• Linear Formula: (C2H5)4N(OCOCH3) · 4H2O

DETAILS

MP Biomedicals - 05224232

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 205583

Packaging
25, 100 g in poly bottle
Application
Employed in the ring opening of 1,3,2-dioxaphospholanes1 and in the synthesis of ether phospholipids.2

Sigma Aldrich - 86607

Other Notes
For the epimerization of hydroxyl groups.; For an improved OsO4-catalyzed hydroxylation of alkenes1