Reaction mass of 4,4'-Isopropylidenediphenol, 1-chloro-2,3-epoxypropane and ethylenediamine

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

This study was conducted between 19 December 2016 and 25 May 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The study is considered to be a reliability 1 as it has been conducted according to OECD TG 105 using the column elution method and in compliance with GLP.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

27 July 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

EC No. 440/2008 of 30 May 2008

Deviations:

no

GLP compliance:

yes

Type of method:

column elution method

Specific details on test material used for the study:

Identification : 4,4'-Isopropylidenediphenol, oligomeric reaction products with 1-chloro-2,3-epoxypropane, reaction products with ethylenediamine
Appearance/Physical state: Yellow/brown extremely viscous liquid
Batch : BBF01102V1
Purity : 100% UVCB
Expiry date : 01 January 2021
Storage conditions*: Room temperature in the dark

* Test item was held at room temperature in the dark, heated to approximately 50 or 80 °C for subsampling, as per sponsor’s communications.

Key result

Water solubility:

>= 100 000 mg/L

Conc. based on:

test mat. (dissolved fraction)

Loading of aqueous phase:

1 000 g/L

Incubation duration:

96 h

Temp.:

20 °C

pH:

11.6

Remarks on result:

completely miscible

Remarks:

>95%

 Results

The results of the definitive test for the water solubility are shown in the following table:

Conc.  (% w/w)	Observation	pH	TOC (g/L)
5.26	Single phase, clear colorless liquid. No excess undissolved test item.	11.0	34.4
20.6	Translucent, pale yellow liquid. Small amount of excess undissolved test item.	11.2	124
49.8	Opaque, pale yellow viscous liquid. Small amount of excess undissolved test item.	n/a	-
75.1	Opaque, very viscous pale yellow liquid. Small amount of undissolved test item.	n/a	-
95.2	Opaque, extremely viscous pale yellow liquid. Small amount of undissolved test item.	n/a	-
10.0	Single phase, clear colorless liquid. No undissolved test item.	11.0	63.9
20.0	Translucent, pale yellow liquid. Small amount of excess undissolved test item.	11.1	101
16.0	Translucent, pale yellow liquid. Small amount of excess undissolved test item.	11.1	121
25.1	Translucent, pale yellow liquid. Small amount of excess undissolved test item.	11.4	152.2
29.8	Translucent, pale yellow liquid. Small amount of excess undissolved test item.	11.4	183.0
35.4	Translucent, pale yellow liquid. Small amount of excess undissolved test item.	11.4	212.1
39.7	Translucent, pale yellow liquid. Small amount of excess undissolved test item.	11.5	245.5
44.9	Translucent, pale yellow liquid. Small amount of excess undissolved test item.	11.5	267.2
50.1	Translucent, pale yellow liquid. Small amount of excess undissolved test item.	11.6	320.1

Miscibility greater than 95% w/w at 20.0 ± 0.5 ºC.

Conclusions:

The miscibility of the test item with water has been determined to be greater than 95% w/w of solution at 20.0 ± 0.5 ºC. During the conduct of the test 3.2073 g of test item was miscible in 3.1967 g of water which is equivalent to 1 g/mL or 1000 g/L

Executive summary:

The general physico-chemical properties of 4,4'-Isopropylidenediphenol, oligomeric reaction products with 1-chloro-2,3-epoxypropane, reaction products with ethylenediamine have been determined.

Water Solubility. Miscible greater than 95% w/w of solution at 20.0 ± 0.5 °C, using an adapted flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

Description of key information

Miscible greater than 95% w/w of solution at 20.0 ± 0.5 °C, using an adapted flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

Key value for chemical safety assessment

Water solubility:

1 mg/L

at the temperature of:

20 °C

Additional information

Partition Coefficient was calculated to be between 7.86 x 10^3 and 2.57 x 10^5 (95.9% of test item at 2.57 x 10^5), log10 Pow between 3.9 and 5.4 (95.9% of test item at 5.4),using the HPLC method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004. The determined LogPow indicates that the substance will be poorly soluble and potentially lipophillic. The registered substances physical state is also variable at temperatures >20 °C and therefore can be in a state of flux between solid and a very viscous liquid. The standard EC method A6 and OECD method 105 was not applicable to this test item due to the high indeterminable saturation levels produced. It was therefore not possible to prepare samples at five times the saturation level as recommended in the guidelines. The test item increases miscibility in water with increasing concentrations, until the water becomes miscible in the test item.

Total organic content analysis was used to estimate the % w/w of test item saturated within the solutions, due to small amounts of excess test item being present at higher concentration ratios, possibly the presence of an insoluble impurity instead of excess test item. Solutions produced an average saturation of test item greater than 95% w/w based on average carbon content of the three main components. The miscibility of the water and test item phases produces a result of greater than 95% w/w.

The registered substance is reported as 95% miscible with water but water was also found to be miscible within the test item at higher concentrations and therefore the results of the OECD 105 study should be considered with caution during risk characterisation. During the conduct of the supporting aquatic ecotoxicology studies test media was prepared using a water accomodated fraction method (WAF) typically used for insoluble substances. A saturated solution was prepared at 1.0 mg/L, stirred for 23 hours and allowed to settle for 1 hour before siphoning the mid portion for use in the testing with fish, algae and Daphnia. Observations conducted in the OECD 201 algal study (Envigo study number: BW18HH) state that

Observations on the test media were carried out during the mixing and testing of the WAFs. At the start of the mixing period the 1.0 mg/L loading rate WAF was observed to have formed a clear colorless media column with test item visible adhered to the glass slide. After stirring a clear colorless media column with solidified test item dispersed throughout and floating at the media surface was formed. Following a 1-Hour standing period the WAF had formed a clear colorless media column with solidified test item floating at the media surface and settled on the bottom of the mixing vessel. Due to these findings it is deemed appropriate to consider the water solubility of the registered substance to be <1.0 mg/L and therefore for risk characterisation purposes it is suggested the 1.0 mg/L is used as it represents a conservative water solubility estimate of test material bioavailable to aquatic species.