bis[(2-ethylhexyl)oxy]phosphinic acid

• ChemBase ID: 104915
• Molecular Formular: C16H35O4P
• Molecular Mass: 322.420461
• Monoisotopic Mass: 322.22729623
• SMILES: CCCCC(CC)COP(=O)(O)OCC(CC)CCCC
• Canonical SMILES: CCCCC(COP(=O)(OCC(CCCC)CC)O)CC
• InChI: InChI=1S/C16H35O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,17,18)
• InChIKey: SEGLCEQVOFDUPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(2-ethylhexyl)oxy]phosphinic acid
• IUPAC Traditional name: bis(2-ethylhexyl)phosphate
• Synonyms: DI(2-ETHYLHEXY)PHOSPHORIC ACID; DEHPA; Di(2-ethylhexyl)phosphoric acid; HDEHP; HDEHPA; ‘Dioctyl’ phosphate; Bis(2-ethylhexyl) hydrogen phosphate; Di(2-ethylhexyl) phosphate; Bis(2-ethylhexyl) phosphate; bis-(2-Ethylhexyl)Hydrogen Phosphate; Di-2-Ethylhexyl Phosphoric Acid; DI-(2-ETHYLHEXYL)PHOSPHATE; 磷酸二(2-乙基己基)酯; 二(2-乙基己基)磷酸酯; 磷酸二辛酯; 磷酸氢双(2-乙基己基)酯; 双(2-乙基己基)磷酸酯

Database IDs

• CAS Number: 298-07-7
• EC Number: 206-056-4
• MDL Number: MFCD00009492
• Beilstein Number: 1712988
• PubChem SID: 24854273; 162093322
• PubChem CID: 9275

CALCULATED PROPERTIES

• Acid pKa: 1.9358332
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4317641
• LogD (pH = 7.4): 3.4049277
• Log P: 5.7809734
• Molar Refractivity: 87.9129 cm^3
• Polarizability: 35.310776 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid
• Melting Point: -50°C; -60 °C(lit.); -60°C
• Boiling Point: 48°C/12mm
• Flash Point: 130 °C; 150.5°C; 171°C(340°F); 266 °F
• Density: 0.965; 0.965 g/mL at 25 °C(lit.); 0.972 g/ml; 0.98 g/ml
• Refractive Index: 1.4420; n20/D 1.443(lit.); n20/D 1.444
• Vapor Pressure: 9.69 x 10-6 mm Hg(estimated).

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: TB7875000
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: 1902; UN1902
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3; III
• Australian Hazchem: 3X
• Risk Statements: 21-34; R:27-34
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• EU Classification: C9
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 153
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H312-H314; H314-H318-H312-H303
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, 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 1902 8/PG 3

Product Information

• Purity: ≥95.0% (T); 95%; 97%
• Grade: purum
• Linear Formula: [CH3(CH2)3CH(C2H5)CH2O]2P(O)OH

DETAILS

MP Biomedicals - 05203129

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157691

1 ml = approx. 0.98 g

Sigma Aldrich - 237825

Frequently Asked Questions
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Packaging
25, 100, 500 g in glass bottle