formic acid; triethylamine

• ChemBase ID: 157918
• Molecular Formular: C7H17NO2
• Molecular Mass: 147.21538
• Monoisotopic Mass: 147.12592879
• SMILES: CCN(CC)CC.C(=O)O
• Canonical SMILES: CCN(CC)CC.OC=O
• InChI: InChI=1S/C6H15N.CH2O2/c1-4-7(5-2)6-3;2-1-3/h4-6H2,1-3H3;1H,(H,2,3)
• InChIKey: PTMFUWGXPRYYMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: formic acid; triethylamine
• IUPAC Traditional name: formic acid; triethylamine
• Synonyms: TEAF; Triethylammonium formate solution; Formic acid : Triethylamine 1:1 solution; Triethylammonium formate solution; 甲酸三乙铵 溶液; 甲酸:三乙胺 1:1 溶液; 甲酸三乙铵 溶液

Database IDs

• CAS Number: 585-29-5
• MDL Number: MFCD00134943
• Beilstein Number: 4150472
• PubChem SID: 24850789; 162252054; 24846289
• PubChem CID: 11084032

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.2147028
• LogD (pH = 7.4): -1.4690653
• Log P: 1.2605933
• Molar Refractivity: 34.2339 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.00 g/mL at 20 °C; 1.01 g/mL at 20 °C
• Absorption Wavelength: λ: 260 nm Amax: ≤0.1; λ: 270 nm Amax: ≤0.03; λ: 280 nm Amax: ≤0.02; λ: 280 nm Amax: ≤0.05; λ: 290 nm Amax: ≤0.01; λ: 500 nm Amax: ≤0.01
• pH: 5.9-6.1 (25 °C)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1760
• German water hazard class: 1; 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 20/21/22-35
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H302-H314-H335; H315-H319
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1760 8/PG 3

Product Information

• Grade: for HPLC
• Suitability: corresponds to standard for filter test
• Evaporation Residue: ≤0.05%
• λ: in concentrate; neat
• Linear Formula: (CH3CH2)3NH+ HCOO-

DETAILS

Sigma Aldrich - 17901

Application
Volatile buffer, used e.g. in reversed-phase HPLC.

Sigma Aldrich - 09752

Application
Volatile buffer, used e.g. in reversed-phase HPLC.
Other Notes
Ion-pairing reagent used in reversed-phase HPLC1