N,N'-bis(2,4,6-triisopropylphenyl)methanediimine

Surface tension

Administrative data

Endpoint:

surface tension

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because water solubility is below 1 mg/L at 20°C

Cross-reference

Reason / purpose for cross-reference:

data waiving: supporting information

Remarks:

water solubility

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-05-08 - 2018-11-12

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

under GLP

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

United States Environmental Protection Agency, OPPTS 830.7840 - Water Solubility: Column Elution Method; Shake Flask Method, 1988.

Deviations:

yes

Remarks:

In the second attempt, all test solutions were stirred completely at 20 °C without previously being stirred at 30 °C.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

OECD - Organisation for Economic Co-operation and Development, OECD Guideline 105: Water Solubility, 1995

Deviations:

yes

Remarks:

In the second attempt, all test solutions were stirred completely at 20 °C without previously being stirred at 30 °C.

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Water solubility:

2.3 µg/L

Conc. based on:

test mat.

Loading of aqueous phase:

93 mg/L

Incubation duration:

48 h

Temp.:

20 °C

pH:

5

Water solubility:

< 1.7 µg/L

Conc. based on:

test mat.

Loading of aqueous phase:

94.5 mg/L

Incubation duration:

72 h

Temp.:

20 °C

pH:

5

Remarks on result:

other: It was determined to be below the LOQ of 1.7 μg/L

Water solubility:

< 1.7 µg/L

Conc. based on:

test mat.

Loading of aqueous phase:

92 mg/L

Incubation duration:

96 h

Temp.:

20 °C

pH:

5

Remarks on result:

other: It was determined to be below the LOQ of 1.7 μg/L

Conclusions:

The water solubility of the test item Bis(2,4,6-triisopropylphenyl)carbodiimide was determined according to OECD 105, using the flask method, under GLP with acceptable modifications, which may be considered as a scientifically reasonable approach. Hence, the observations and results can be considered reliable.
The water solubility of Bis(2,4,6-triisopropylphenyl)carbodiimide was determined to be 2.3 µg/L after 48 h shaking, and it was determined to be below the LOQ of 1.7 µg/L after 72 h resp. 96 h shaking. This fact and visualisation of the chromatograms indicate a time-dependent decrease in substance concentration. This first shows that the test item is practically insoluble in water, and second, that it is not stable over time in water.

Executive summary:

The water solubility of the test item Bis(2,4,6-triisopropylphenyl)carbodiimide in demineralized water was determined with the shake flask method at 20 °C according to OECD 105 and OPPTS 830.7840 under GLP. According to the results of a preliminary test the column elution method should be carried out but the test item is a liquid and therefore the flask method was applied.

The concentration of the test item in the aqueous test solutions was determined by HPLC analysis with MS detection.

In a first attempt the results showed a large deviation. Therefore a second attempt with deviations from OECD 105 was carried out. All test solutions were stirred completely at 20 °C without previously being stirred at 30 °C.

 

Table Results of individual determinations and mean value

Water solubility test at 20 °C	Flask A [µg/L]	Flask B [µg/L]	Flask C [µg/L]
Stirring time (at 20 °C)	96 h	72 h	48 h
Concentration of Bis(2,4,6-triisopropylphenyl)carbodiimide	< 1.7	< 1.7	2.3
pH-value	5	5	5

 

Water solubility of Bis(2,4,6-triisopropylphenyl)carbodiimide at 20 °C after shaking for 48 hours: 2.3 µg/L