Dialkyl C18 and C18-unsaturated phosphonates

Appearance / physical state / colour

Administrative data

Endpoint:

appearance / physical state / colour

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

reference to same study

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Deviations:

no

GLP compliance:

yes

Type of method:

flask method

Key result

Water solubility:

< 0.17 µg/L

Conc. based on:

test mat.

Loading of aqueous phase:

0.009 mg/L

Incubation duration:

65 h

Temp.:

20.3 °C

pH:

7.3

Details on results:

The content of test item dissolved in the water sample was 0.17 µg/L (the concentration is an estimated value calculated using the mean response of the lowest calibration solution).

Conclusions:

The slow-stirring flask method was applied for the determination of the water solubility of Alkenyl phosphonate.
The water solubility of the test item at 20°C was estimated to be ≤0.17 µg/L.
The pH of the aqueous sample was 7.3.

Executive summary:

Water solubility of Alkenyl Phosphonate has been determined according to OECD 105 test guideline in compliance with GLP. The water solubility of the test substance was determined to be below 0.17 µg/L at 20 °C.

Cross-reference 2

Reason / purpose for cross-reference:

reference to same study

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

OECD Guideline 121 (Estimation of the Adsorption Coefficient (Koc) on Soil and on Sewage Sludge using High Performance Liquid Chromatography (HPLC))

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method C.19 (Estimation of the Adsorption Coefficient (KOC) on Soil and Sewage Sludge Using High Performance Liquid Chromatography (HPLC))

Deviations:

not applicable

GLP compliance:

yes

Type of method:

HPLC estimation method

Radiolabelling:

no

Details on study design: HPLC method:

Instrument Acquity UPLC system (Waters, Milford, MA, USA)
Detector (reference substance) Acquity UPLC TUV detector (Waters)
Detector (test item) Xevo TQ-S mass spectrometer (Waters)
Column Acquity UPLC HSS Cyano, 100 mm ± 2.1 mm i.d., dp = 1.8 µm (Waters)
Column temperature 35°C ± 1°C
Injection volume 5 µL
Solvent A 55/45 (v/v) methanol/water
Solvent B 100% methanol

Gradient (A gradient was applied in order to elute components with log Koc > 5.63 from the column. The reference compounds are eluted in the isocratic part of the method and the gradient step was not applied for these injections.)

Time (minutes) Solvent A(%) Solvent B (%)
0 100 0
9 100 0
14 0 100
20 0 100
20.1 100 0
30 100 0

Flow 0.4 mL/min
UV detection (reference substance) 210 nm
MS detection (test item)
Ionization source ESI+
Cone voltage 6 0 V
Collision energy 28 eV
Quantitation m/z 583.5 ± m/z 83.0


Reference Substance Solution
A stock solution of the reference substance at a concentration of approximately 1 g/L in methanol was used. The stock solution was diluted to obtain an end solution of 55/45 (v/v) methanol/water.
The blank solution for the reference substance was 55/45 (v/v) methanol/water.
Reference substance: 4,4'-DDT (CAS 50-29-3) Purity: 98.7% Sigma Aldrich Log Koc= 5.63

Test Solution
A 1500 mg/L stock solution of the test item was prepared in methanol. The stock solution was diluted with 54.4/45.6 (v/v) methanol/water. The final concentration of the test item solution was 0.200 mg/L.
The test item blank solution was 55/45 (v/v) methanol/water.

Sample Injections
Reference substance and test item solutions were injected in duplicate. Blank solutions were analyzed by single injection.

Key result

Type:

log Koc

Value:

> 5.63 dimensionless

pH:

7

Details on results (HPLC method):

- Retention times of reference substances used for calibration: 13.77 minutes

Validity criteria fulfilled:

yes

Conclusions:

The HPLC method using soil-adsorption-reference data was applied for the determination of the adsorption coefficient (Koc) of Alkenyl phosphonate. At neutral pH, the Koc was > 4.27 x 10 e5 and log Koc was > 5.63

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: OECD 105

GLP compliance:

yes

Test material

Test material information

Constituent 1

Reference substance name:

Dialkyl C18 and C18-unsaturated phosphonates

EC Number:

701-298-1

Cas Number:

64051-29-2

Molecular formula:

Not applicable for a UVCB Substance

IUPAC Name:

Dialkyl C18 and C18-unsaturated phosphonates

Test material form:

liquid

Results and discussion

Physical state at 20°C and 1013 hPa:

liquid

Form / colour / odour

Form:

liquid

Colour:

colourless

Applicant's summary and conclusion

Conclusions:

The Alkenyl phosphonate is a colourless liquid at ambient temperature