dioctyl phenylphosphonate

• ChemBase ID: 103363
• Molecular Formular: C22H39O3P
• Molecular Mass: 382.517021
• Monoisotopic Mass: 382.26368174
• SMILES: CCCCCCCCOP(=O)(OCCCCCCCC)c1ccccc1
• Canonical SMILES: CCCCCCCCOP(=O)(c1ccccc1)OCCCCCCCC
• InChI: InChI=1S/C22H39O3P/c1-3-5-7-9-11-16-20-24-26(23,22-18-14-13-15-19-22)25-21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21H2,1-2H3
• InChIKey: HAKMAMKAFTZXOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dioctyl phenylphosphonate
• IUPAC Traditional name: dioctyl phenylphosphonate
• Synonyms: Dioctyl phenylphosphonate; Di-n-octyl phenylphosphonate; DOPP; DI-n-OCTYLPHENYLPHOSPHONATE; 苯基膦酸二辛酯; 苯基磷酸二正辛酯

Database IDs

• CAS Number: 1754-47-8
• EC Number: 217-142-6
• MDL Number: MFCD00009561
• Beilstein Number: 2948496
• PubChem SID: 24865864; 24847681; 162090979
• PubChem CID: 15641

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.5194
• LogD (pH = 7.4): 7.5194
• Log P: 7.5194
• Molar Refractivity: 110.7662 cm^3
• Polarizability: 44.42475 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 207 °C/4 mmHg(lit.); 219-220°C/0.7mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 0.932; 0.967 g/mL at 25 °C(lit.)
• Refractive Index: 1.4795; n20/D 1.478(lit.)

Safety Information

• RTECS: TA0379000
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 95%; 97%
• Grade: Selectophore™
• Linear Formula: C6H5P(O)[O(CH2)7CH3]2

DETAILS

MP Biomedicals - 02151501

Specially purified for use with calcium selective electrodes consisting of alkylphosphate supported on PVC membranes. DOPP effectively reduces the electrode sensitivity to the PVC plasticizer and allows interference-free selection.

Sigma Aldrich - 413429

Packaging
25 mL in glass bottle

Sigma Aldrich - 12584

General description
Visit our Sensor Applications portal to learn more.
Other Notes
Plasticizer used in ion-selective electrodes1,2,3
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

REFERENCES

• Griffiths, G.H., et al., Analyst, 97: 420 (1972).
• Calcium ion sensor for ion-sensitive electrodes: Anal. Biochem., 157, 345 (1986).