tris(2-ethylhexyl) phosphate

• ChemBase ID: 104989
• Molecular Formular: C24H51O4P
• Molecular Mass: 434.633101
• Monoisotopic Mass: 434.35249674
• SMILES: CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
• Canonical SMILES: CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC
• InChI: InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3
• InChIKey: GTVWRXDRKAHEAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-ethylhexyl) phosphate
• IUPAC Traditional name: tris(2-ethylhexyl) phosphate
• Synonyms: ‘Trioctyl’ phosphate; Tris(2-ethylhexyl) phosphate; TRI(2-ETHYLHEXYL)PHOSPHATE; Tris(2-ethylhexyl) phosphate; Trioctyl phosphate; tris(2-ETHYLHEXYL)PHOSPHATE; Tris(2-ethylhexyl) phosphate; 磷酸三辛酯; 磷酸三(2-乙基己基)酯; 磷酸三辛酯

Database IDs

• CAS Number: 78-42-2
• EC Number: 201-116-6
• MDL Number: MFCD00009491
• Beilstein Number: 1715839
• PubChem SID: 24889829; 24857416; 162091766; 24889831
• PubChem CID: 6537

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.181512
• LogD (pH = 7.4): 9.181512
• Log P: 9.181512
• Molar Refractivity: 124.5434 cm^3
• Polarizability: 50.28404 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -74 °C
• Boiling Point: 215 °C/4 mmHg(lit.); 216°C/4mm; 220 °C at 5 mmHg
• Flash Point: >110°C(230°F); 207 °C; 404.6 °F
• Density: 0.92 g/mL at 20 °C(lit.); 0.926 at 20 °C (water = 1); also reported: 0.99 at 20 °C; 0.93
• Refractive Index: 1.4410; n20/D 1.443; n20/D 1.444(lit.)
• Vapor Pressure: 0.23 mm Hg at 150 °C; 2.1 mmHg ( 20 °C)
• Vapor Density: 14.95 (air = 1)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: MP0770000
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 20-36/38; 36/38
• Safety Statements: 26; 9-26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H332-H315-H319
• GHS Precautionary statements: P261-P280-P305+P351+P338-P302+P352-P321-P304+P340; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); ≥99.0%; ≥99.0% (GC); 95+%; 97%
• Grade: purum; Selectophore™
• Suitability: corresponds to standard for filter test
• Linear Formula: [CH3(CH2)3CH(C2H5)CH2O]3P(O)

DETAILS

MP Biomedicals - 02157991

1 ml = approx. 0.92 g

MP Biomedicals - 05202892

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 289922

Packaging
25, 500 mL in glass bottle

Sigma Aldrich - 93299

Application
Plasticizer for solvent polymeric membrane electrodes
General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH