tributyl phosphate

• ChemBase ID: 112215
• Molecular Formular: C12H27O4P
• Molecular Mass: 266.314141
• Monoisotopic Mass: 266.16469597
• SMILES: CCCCOP(=O)(OCCCC)OCCCC
• Canonical SMILES: CCCCOP(=O)(OCCCC)OCCCC
• InChI: InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
• InChIKey: STCOOQWBFONSKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl phosphate
• IUPAC Traditional name: tributyl phosphate
• Synonyms: TRI-n-BUTYL PHOSPHATE; TBP; TBPA; Tributyl phosphate; Phosphoric acid tri-n-butyl ester; Tri-n-butyl phosphate; Tributyl phosphate; 磷酸三丁酯; 磷酸三正丁酯

Database IDs

• CAS Number: 126-73-8
• EC Number: 204-800-2
• MDL Number: MFCD00009436
• Beilstein Number: 1710584
• Merck Index: 149618
• PubChem SID: 162097456; 24889413; 24860899; 24849766; 24844935
• PubChem CID: 31357
• CHEBI ID: 35019
• Chemspider ID: 29090
• KEGG ID: C14439
• Wikipedia Title: Tributyl_phosphate

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0854754
• LogD (pH = 7.4): 4.0854754
• Log P: 4.0854754
• Molar Refractivity: 69.7196 cm^3
• Polarizability: 28.216341 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 1 mL/165 mL water
• Melting Point: <-70°C; -79 °C(lit.); -80°C; -80°C
• Boiling Point: 155-156°C/10mm; 180-183 °C/22 mmHg(lit.); 289°C
• Flash Point: 145 °C; 152°C(305°F); 293 °F
• Auto Ignition Point: 770 °F
• Density: 0.97 g/ml; 0.9727 g/mL; 0.977; 0.979 g/mL at 25 °C(lit.)
• Refractive Index: 1.4240; n20/D 1.424; n20/D 1.424(lit.)
• Vapor Pressure: 27 mmHg ( 178 °C); 7.3 mmHg ( 150 °C)
• Vapor Density: 9.2 (vs air)

Safety Information

• RTECS: TC7700000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-38-40; R:22
• Safety Statements: 36/37-46; S:25
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• NFPA704:
  

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  2

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• GHS Hazard statements: H302-H315-H351; H351-H302-H315
• GHS Precautionary statements: P280H-P301+P310-P315; P281
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); ≥98.0%; ≥98.0% (GC); ≥99%; ≥99.0%; ≥99.0% (GC); 97%; 98%
• Grade: analytical standard, for environmental analysis; for extraction analysis; puriss.; purum; SAJ first grade; Selectophore™
• Cation Traces: Al: ≤5 mg/kg; Ba: ≤1 mg/kg; Bi: ≤1 mg/kg; Ca: ≤5 mg/kg; Cd: ≤0.5 mg/kg; Co: ≤0.5 mg/kg; Cr: ≤1 mg/kg; Cu: ≤0.5 mg/kg; Fe: ≤5 mg/kg; K: ≤5 mg/kg; Li: ≤1 mg/kg; Mg: ≤1 mg/kg; Mn: ≤0.5 mg/kg; Mo: ≤1 mg/kg; Na: ≤5 mg/kg; Ni: ≤0.5 mg/kg; Pb: ≤1 mg/kg; Sr: ≤1 mg/kg; Zn: ≤1 mg/kg
• Quality Level: PREMIUM
• Acid Value: <1
• Linear Formula: (CH3(CH2)3O)3PO

DETAILS

Sigma Aldrich - 158615

Application
Extractant for metal complexes.1
Packaging
1, 4 L in poly bottle

Sigma Aldrich - 240494

Packaging
100 mL in poly bottle
5 mL in glass bottle

Sigma Aldrich - 90818

General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH