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EC number: 205-352-0 | CAS number: 139-08-2
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From May 22, 2007 to July 20, 2007
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- not specified
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- not specified
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Data submitter is data owner or has the letter of access
- Type of method:
- flask method
- Specific details on test material used for the study:
- Chemical name: C14 ADBAC
Lot/batch number: 612212
Expiry date: 21 December 2009
Percent active substance: 99.1%
Appearance: White powder
Storage conditions: Room temperature - Key result
- Water solubility:
- ca. 44 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Temp.:
- 20 °C
- Remarks on result:
- other: in purified water
- Key result
- Water solubility:
- ca. 62 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Temp.:
- 20 °C
- pH:
- ca. 5
- Key result
- Water solubility:
- ca. 50 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Temp.:
- 20 °C
- pH:
- ca. 7
- Key result
- Water solubility:
- ca. 41 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Temp.:
- 20 °C
- pH:
- ca. 9
- Conclusions:
- Under study conditions, the solubility of the test substance was found to be 44, 62, 50 and 41 g/L in purified water, pH 5 buffer, pH 7 buffer and pH 9 buffer respectively.
- Executive summary:
A study was conducted to determine the solubility of the test substance, C14 ADBAC, according to the OECD 105 Guideline and EU Method A.6, in compliance with GLP. The water solubility was conducted by the flask method following a preliminary examination, in purified water and in buffer solutions at pH 5, 7 and 9. Preliminary tests were conducted by shaking a known mass (approximately 1 g) of C14 ADBAC with increasing volumes of each buffer solution until dissolution was achieved. Solubilities in excess of 100 g/L were indicated and the definitive tests were thus performed by the flask method. The recovery of C14 ADBAC from fortified control samples was deemed to be acceptable, and thus no correction was necessary to the determined sample concentrations. No significant interfering peaks were evident in blank control solutions. Under study conditions, the solubility of the test substance was found to be 44, 62, 50 and 41 g/L in purified water, pH 5 buffer, pH 7 buffer and pH 9 buffer respectively (Sydney 2007).
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From December 12, 2017 to December 20, 2017
- 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:
- ca. 101 - ca. 115 mg/L
- Conc. based on:
- test mat. (dissolved fraction)
- Temp.:
- 20 °C
- pH:
- ca. 7.28
- Remarks on result:
- other: Water solubility determined as critical micelle concentration
- Conclusions:
- Under study conditions, water solubility as critical micelle concentration of the test substance at 20°C was determined to be 101-105 mg/L, indicating moderate solubility in water.
- Executive summary:
A study was conducted to determine the water solubility as critical micelle concentration (CMC) of the test substance, C14 ADBAC (purity: 99.55%), 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 and main tests. The preliminary and main test graph plot showed that the c.m.c. can be found in the concentration range of 101 to 115 mg/L. Under study conditions, water solubility as critical micelle concentration of the test substance at 20°C was determined to be 101-115 mg/L, indicating moderate solubility in water (Maike, 2018).
Referenceopen allclose all
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 |
$ [mN/m] |
10.1 |
1.00 |
47.04 |
20.2 |
1.30 |
44.97 |
30.2 |
1.48 |
42.00 |
50.4 |
1.70 |
40.25 |
70.6 |
1.85 |
43.45 |
100.8 |
2.00 |
37.66 |
151.2 |
2.18 |
42.41 |
200.3 |
2.30 |
42.40 |
300.5 |
2.48 |
40.18 |
400.9 |
2.60 |
37.35 |
500.9 |
2.70 |
34.66 |
Main Test
Due to the result of the preliminary test, solutions with concentrations around 100 mg/L were prepared for the main test. The concentrations of the prepared solutions and mean of three measured surface tensions at each concentration are summarized in the following table:
Table 2: Concentrations and measured surface tension values of the main test
c [mg/L] |
log c |
$ [mN/m] |
82.9 |
1.92 |
42.45 |
89.5 |
1.95 |
44.91 |
94.1 |
1.97 |
46.59 |
103.3 |
2.01 |
43.59 |
107.9 |
2.03 |
44.98 |
114.8 |
2.06 |
38.25 |
119.8 |
2.08 |
41.15 |
140.1 |
2.15 |
41.45 |
151.1 |
2.18 |
43.31 |
The plot of the surface tension as function of the logarithm of the concentration was drawn for preliminary and main test. The preliminary and main test showed that the c.m.c. can be found in the concentration range of 101 to 115 mg/L.
Description of key information
Water solubility of the test substance was determined using flask method, according to the OECD 105 Guideline and EU method A.6 (Sydent, 2007) as well as using CMC method, according to ISO 4311 (Maike, 2018).
Key value for chemical safety assessment
- Water solubility:
- 115 mg/L
- at the temperature of:
- 20 °C
Additional information
water solubility based on CMC: 101-115 mg/L at 20 °C; water solubility based on flash method: 44, 62, 50 and 41 g/L in purified water, pH 5, 7 and 9 respectively and 20 °C
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