Benzododecinium chloride

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From June 27, 2019 to July 09, 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

comparable to guideline study

Qualifier:

according to guideline

Guideline:

other: Preliminary water solubility test as per OECD 107

GLP compliance:

yes (incl. QA statement)

Type of method:

other: Preliminary solubility test as per OECD Guideline 107

Key result

Water solubility:

ca. 65 - ca. 175 g/L

Conc. based on:

test mat.

Incubation duration:

ca. 5 min

Remarks on result:

other: pH details not available

The preliminary test at room temperature showed, that the water solubility of the test item was in the range of 65 g/L and 175 g/L.

Amount of test substance (mg)	Volume of water (mL)	Time in ultrasonic bath (min)	Remark
104.76	0.1	-	not dissolved
	0.6	2	not dissolved
	1.6	5	dissolved

Conclusions:

Under the study conditions, water solubility of the test substance was determined to be 65 to 175 g/L at room temperature.

Executive summary:

A study was conducted to determine the water solubility of the substance, using preliminary solubility test method according to the OECD Guideline 107, in compliance with GLP. Under the study conditions, water solubility of the test substance was determined to be 65 to 175 g/L at room temperature (Hartmann, 2019)

Reference 2

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From July 17, 2019 to August 12, 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

test procedure in accordance with national standard methods

Qualifier:

according to guideline

Guideline:

other: ISO 4311 (1979): Anionic and non-ionic surface active agents – Determination of the critical micellization concentration – Method by measuring surface tension with a plate, stirrup or ring

Deviations:

not specified

GLP compliance:

yes (incl. QA statement)

Type of method:

other: Determination of critical micelle concentration graphically

Key result

Water solubility:

> 2 000 mg/L

Conc. based on:

test mat. (dissolved fraction)

Temp.:

20 °C

Remarks on result:

other: Water solubility determined as critical micelle concentration

Results

Preliminary Test

The concentrations of the prepared solutions and the measured surface tensions are summarized in the following table:

Table 1: Concentrations and measured surface tension values of the preliminary test

c [mg/L]	log c	s [mN/m]
2019.0	3.31	24.18
1006.2	3.00	28.55
740.0	2.87	26.37
535.2	2.73	30.45
313.0	2.50	34.32
245.6	2.39	39.29
200.0	2.30	37.62
180.99	2.26	43.94
151.95	2.18	45.53
100.5	2.00	54.87
50.35	1.70	58.52
20.26	1.31	65.02
1.0055	0.002	69.68

The plot of the surface tension as function of the logarithm of the concentration was drawn (Kindly refer the attached background material section of the IUCLID).

Conclusion

According to ISO 4311 no critical micellization concentration (c.m.c.) of the test substance can be evaluated on the basis of the measured curve of the surface tension against the log of the concentration in the range of 1 mg/L to 2000 mg/L. Due to this fact, the critical micellization concentration (c.m.c.) lies above the highest tested concentration of 2 g/L.

Conclusions:

Under the study conditions, water solubility as critical micelle concentration of the test substance at 20°C was determined to be >2000 mg/L.

Executive summary:

A study was conducted to determine the water solubility as critical micelle concentration (CMC) of the test substance, C12 ADBAC (purity: 93.6%), according to the ISO 4311, in compliance with GLP. During the study, the plot of the surface tension as function of the logarithm of the test substance concentration was drawn for preliminary test. Because of the exponential course of the curve of the preliminary test starting at a value of log c > 1.7 the main test was not carried out. No critical micellization concentration (c.m.c.) of the test substance could be evaluated on the basis of the measured curve of the surface tension against the log of the concentration in the range of 1 mg/L to 2000 mg/L. Due to this fact, the study director determined that critical micellization concentration (c.m.c.) of teh test substance lies above the highest tested concentration of 2 g/L. Under the study conditions, water solubility as critical micelle concentration of the test substance at 20°C was determined to be >2000 mg/L (Hartmann, 2019).

Description of key information

The water solubility of the test substance was determined using the preliminary solubility test method as part of the partition coefficient test according to the OECD 107 as well as using the CMC method, according to ISO 4311 (Hartmann, 2019).

Key value for chemical safety assessment

Water solubility:

2 000 mg/L

at the temperature of:

20 °C

Additional information

- Water solubility based on CMC: >2000 mg/L at 20 °C

- Water solubility based on preliminary solubility test method: ranges between 65 to 175 g/L at 24°C

As the test substance is a surfactant, the CMC value, which is considered as the most pragmatic value for representing water solubility of surfactants as per the ECHA guidance, has been considered further for hazard/risk assessment.