Bis(2-hydroxyethyl) (6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxide

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2012-05-15 - 2013-02-26

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The GLP study was conducted according to an internationally accepted guideline. All study parameters are given in detail.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Report date:

2012

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Bis(2-hydroxyethyl) (6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxide

EC Number:

264-313-6

EC Name:

Bis(2-hydroxyethyl) (6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxide

Cas Number:

63562-34-5

Molecular formula:

C21H23O8P

IUPAC Name:

Bis(2-Hydroxyethyl) (6H-dibenz[c,e][1,2]oxaphosphorin-6-ylmethyl)succinate P-oxide

Test material form:

solid: crystalline

Details on test material:

Name: Ukanol FR 70
Batch no.: 4251318
Appearance: white solid
Composition: 9,10-Dihydro-9-oxa~10-[2,3-Di-(2-hydroxyethoxy) carbonylpropyl]-10-phosphaphenanthren-10-oxid; Bis(2-hydroxyethyl)-(6H-dibenz[c,e][1,2]oxaphos-phorin-6-yl-methyl)succinat-P-oxide
CAS No.: 63562-34-5
EINECS-No.: 264-313-6
Molecular formula: C21H23O8P
Molecular weight: 434 g/mo
Purity: app. 90% (HPLC)
Homogeneity: homogeneous

Results and discussion

Water solubility

Water solubility:

< 15 mg/L

Temp.:

20 °C

pH:

>= 4.1 - <= 5.17

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The solubility of the complex test item was stated as < 15 mg/L, as only a part of the test item was dissolved in all flasks for all nominal concentrations of the test item including the mixtures of the pre-test.

Executive summary:

The solubility of Ukanol FR 70 in water was determined in the acidified and diluted test solutions. In a preliminary study, solubility of the test item in water could not be estimated, as the test item solutions showed different amounts of dissolved test item. In one pre-test, 3.0 mg test item was not dissolved in 200 mL demineralised water (nominal concentration 15 mg/L) after shaking of the mixture for 2 days. For the main study, 80 - 750 mg/L were weighed into six individual vessels (flasks 1 - 6), water was added, and the vessels were stirred at 20.0 ± 0.5 °C. After 24 ± 2 hours, after further 24 ± 2 hours and again after 24 ± 2 hours, flask 1 was taken from the stirrer and stored at 20.0 ± 0.5 °C for equilibration. Samples were taken and checked for colloidal particles using a laser pointer (Tyndall effect). Because no Tyndall effect was noticed, the samples were diluted and acidified by adding diluted phosphoric acid (0.85 %). Measurement was performed via HPLC. Because of a difference of less than 15 % on days 2 and 3 and no upward tendency, the test was finished on day 3. The final measurement was performed as determination from flasks 1 - 6. The sampling and sample preparation of flask 5 was repeated, as the relation between measured and nominal concentration showed a different value (53 %) compared with the samples of the other flasks (67 - 75 %). The measured concentration in flask 5 was confirmed. The result of flask 5 was stated as an outlier (Grubbs' Outlier test). Linear dependency of solubility on amount of the test item (nominal load) was perceived in the main study.

At the plateau, the concentration of Ukanol FR 70 in water lay in the range: 59.23 - 558.91 mg/L at 20.0 ± 0.5 °C = 5.923 - 55.891 * 10-2 kg/m3 (SI units) for the following nominal concentration range of the test item in water: 80 - 750 mg/L. Therefore, 67 - 75 % of the test item was dissolved in water relating to the nominal concentration of the test item. The solubility of the whole test item was stated as < 15 mg/L, as only a part of the test item was dissolved in all flasks for all nominal concentrations of the test item including the mixtures of the pre-test.