Quaternary ammonium compounds, C12-14 (even numbered) alkyl(hydroxyethyl)dimethyl, C12 alkylbis(hydroxyethyl)methyl, chlorides and amines, C12-14 (even numbered) alkyldimethyl, chlorides

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

13 February 2019

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: OECD Guideline 115: Surface Tension of Aqueous Solutions

Version / remarks:

27 July 1995

Deviations:

no

Qualifier:

according to guideline

Guideline:

other: EU Method A5: Surface tension

Version / remarks:

30 May 2008

Deviations:

no

Principles of method if other than guideline:

Below the CMC, a surfactant is considered to be thermodynamically soluble in the water; whereas above the CMC, the solubility of a surfactant in water has been exceeded and the excess surfactant aggregates to form micelles. These micelles have significantly less effect on the surface tension of a solution and are considered not to be in solution. Thus, the water solubility of a surfactant may be expressed in terms of the CMC.

GLP compliance:

yes (incl. QA statement)

Type of method:

other: by determining the surface tension of a range of aqueous sample solutions of differing concentration

Key result

Water solubility:

ca. 4 500 mg/L

Conc. based on:

test mat.

Remarks:

Water solubility determined as CMC

Incubation duration:

ca. 67 - ca. 232 min

Temp.:

20 °C

Remarks on result:

other: equivalent to 1782 mg a.i./L

Details on results:

Please see below table.

Findings and results

 

Findings ReferenceTest

Water, HPLC grade, Lot I2760_8 was measured.

The following values were recorded:

 

Measured Values NegativeControl

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.2985	72.82	20.5
2	5.1	0.2979	72.67	20.5
3	6.1	0.2976	72.60	20.5
4	7.1	0.2978	72.65	20.5
5	8.1	0.2977	72.62	20.5
6	9.1	0.2975	72.57	20.4
7	10.1	0.2960	72.21	20.4
8	11.1	0.2972	72.50	20.4
9	12.1	0.2976	72.60	20.4
10	13.1	0.2976	72.60	20.4
Mean			72.58
Standard Deviation			0.16

Findings Main Test

The test substance solutions were held at constant temperature (20.0 ± 0.4 °C). 180 ± 23 min. (see chapter7.3) after conclusion of the first measurement series, a second measurement series was performed for confirmation purposes.

 

The following values were recorded:

Measured Values Test Substance First Series 100 mg/L test substance (39.6 mg/L active ingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.2924	71.33	20.0
2	5.1	0.2892	70.55	20.0
3	6.2	0.2885	70.38	20.0
4	7.1	0.2885	70.38	20.0
5	8.1	0.2885	70.38	20.0
6	9.1	0.2884	70.35	20.0
7	10.1	0.2886	70.40	20.0
8	11.1	0.2884	70.35	20.0
9	12.2	0.2889	70.48	20.0
10	13.1	0.2883	70.33	20.0
Mean			70.49
Standard Deviation			0.30

 

Measured Values Test Substance Second Series 100 mg/L test substance (39.6 mg/L active ingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.2908	70.94	20.1
2	5.2	0.2873	70.09	20.1
3	6.2	0.2866	69.92	20.1
4	7.2	0.2864	69.87	20.1
5	8.2	0.2861	69.79	20.1
6	9.2	0.2861	69.79	20.1
7	10.2	0.2865	69.89	20.1
8	11.2	0.2863	69.84	20.1
9	12.2	0.2862	69.82	20.1
10	13.2	0.2861	69.79	20.1
Mean			69.97
Standard Deviation			0.35

 Measured Values Test Substance First Series 500 mg/L test substance (198 mg/L activeingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.2501	61.01	20.3
2	5.1	0.2473	60.33	20.2
3	6.1	0.2455	59.89	20.3
4	7.1	0.2452	59.82	20.3
5	8.1	0.2449	59.74	20.3
6	9.1	0.2449	59.74	20.3
7	10.1	0.2446	59.67	20.3
8	11.1	0.2441	59.55	20.3
9	12.1	0.2442	59.57	20.3
10	13.1	0.2440	59.52	20.3
Mean			59.88
Standard Deviation			0.46

 

Measured Values Test Substance Second Series 500 mg/L test substance (198 mg/L activeingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.1	0.2360	57.57	20.1
2	5.1	0.2330	56.84	20.1
3	6.1	0.2315	56.47	20.1
4	7.1	0.2307	56.28	20.1
5	8.1	0.2304	56.21	20.1
6	9.1	0.2300	56.11	20.1
7	10.1	0.2297	56.03	20.1
8	11.1	0.2297	56.03	20.1
9	12.1	0.2295	55.99	20.1
10	13.1	0.2292	55.91	20.1
Mean			56.34
Standard Deviation			0.51

MeasuredValuesTestSubstanceFirstSeries1000mg/Ltestsubstance(396mg/Lactiveingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.1	0.2026	49.42	20.3
2	5.1	0.2003	48.86	20.3
3	6.1	0.1989	48.52	20.3
4	7.1	0.1977	48.23	20.3
5	8.1	0.1970	48.06	20.3
6	9.1	0.1961	47.84	20.3
7	10.1	0.1962	47.86	20.4
8	11.2	0.1957	47.74	20.4
9	12.1	0.1957	47.74	20.4
10	13.1	0.1954	47.67	20.4
Mean			48.19
Standard Deviation			0.58

 

Measured Values Test Substance Second Series 1000 mg/L test substance (396 mg/L activeingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.2043	49.84	20.2
2	5.1	0.2020	49.28	20.2
3	6.1	0.2008	48.98	20.2
4	7.1	0.1996	48.69	20.2
5	8.1	0.1984	48.40	20.2
6	9.1	0.1983	48.37	20.2
7	10.1	0.1978	48.25	20.2
8	11.1	0.1974	48.16	20.2
9	12.1	0.1973	48.13	20.2
10	13.1	0.1971	48.08	20.2
Mean			48.62
Standard Deviation			0.58

 

MeasuredValuesTestSubstanceFirstSeries2500mg/Ltestsubstance(990mg/Lactiveingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.1451	35.40	20.2
2	5.1	0.1418	34.59	20.2
3	6.2	0.1407	34.32	20.2
4	7.1	0.1401	34.18	20.2
5	8.1	0.1394	34.01	20.2
6	9.1	0.1387	33.84	20.2
7	10.1	0.1383	33.74	20.2
8	11.1	0.1379	33.64	20.2
9	12.2	0.1373	33.49	20.2
10	13.1	0.1371	33.45	20.2
Mean			34.06
Standard Deviation			0.59

 

Measured Values Test Substance Second Series 2500 mg/L test substance (990 mg/L activeingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.1519	37.06	20.4
2	5.2	0.1501	36.62	20.4
3	6.2	0.1500	36.59	20.4
4	7.1	0.1494	36.45	20.4
5	8.2	0.1489	36.32	20.4
6	9.1	0.1480	36.10	20.4
7	10.2	0.1480	36.10	20.4
8	11.1	0.1478	36.06	20.4
9	12.2	0.1475	35.98	20.4
10	13.1	0.1471	35.88	20.4
Mean			36.32
Standard Deviation			0.36

 

MeasuredValuesTestSubstanceFirstSeries4000mg/Ltestsubstance(1584mg/Lactiveingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.1	0.1394	34.01	20.3
2	5.1	0.1378	33.62	20.3
3	6.1	0.1375	33.54	20.3
4	7.1	0.1374	33.52	20.4
5	8.1	0.1373	33.49	20.4
6	9.1	0.1370	33.42	20.4
7	10.1	0.1372	33.47	20.4
8	11.1	0.1367	33.35	20.4
9	12.1	0.1368	33.37	20.4
10	13.1	0.1367	33.35	20.4
Mean			33.51
Standard Deviation			0.19

 

Measured Values Test Substance Second Series 4000 mg/L test substance (1584 mg/L active ingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.1	0.1350	32.93	20.2
2	5.2	0.1333	32.52	20.2
3	6.1	0.1329	32.42	20.2
4	7.2	0.1328	32.40	20.2
5	8.1	0.1328	32.40	20.2
6	9.2	0.1327	32.37	20.2
7	10.2	0.1325	32.32	20.2
8	11.2	0.1323	32.27	20.2
9	12.1	0.1324	32.30	20.2
10	13.2	0.1324	32.30	20.2
Mean			32.42
Standard Deviation			0.19

 MeasuredValuesTestSubstanceFirstSeries4500mg/Ltestsubstance(1782mg/Lactiveingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.1383	33.74	20.3
2	5.1	0.1350	32.93	20.3
3	6.1	0.1346	32.84	20.3
4	7.1	0.1346	32.84	20.3
5	8.1	0.1336	32.59	20.3
6	9.1	0.1338	32.64	20.3
7	10.1	0.1341	32.71	20.3
8	11.1	0.1338	32.64	20.3
9	12.2	0.1337	32.62	20.3
10	13.1	0.1338	32.64	20.3
Mean			32.82
Standard Deviation			0.34

 

Measured Values Test Substance Second Series 4500 mg/L test substance (1782 mg/L active ingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.1	0.1348	32.88	20.3
2	5.0	0.1318	32.15	20.3
3	6.1	0.1311	31.98	20.3
4	7.0	0.1303	31.79	20.3
5	8.1	0.1302	31.76	20.3
6	9.0	0.1297	31.64	20.3
7	10.1	0.1294	31.57	20.3
8	11.0	0.1295	31.59	20.3
9	12.1	0.1288	31.42	20.3
10	13.0	0.1284	31.32	20.3
Mean			31.81
Standard Deviation			0.45

 MeasuredValuesTestSubstanceFirstSeries5000mg/Ltestsubstance(1980mg/Lactiveingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.1392	33.96	20.1
2	5.1	0.1366	33.32	20.1
3	6.2	0.1361	33.20	20.1
4	7.1	0.1363	33.25	20.1
5	8.1	0.1362	33.23	20.1
6	9.1	0.1362	33.23	20.1
7	10.1	0.1357	33.10	20.1
8	11.1	0.1359	33.15	20.1
9	12.2	0.1358	33.13	20.1
10	13.1	0.1356	33.08	20.1
Mean			33.26
Standard Deviation			0.25

 

Measured Values Test Substance Second Series 5000 mg/L test substance (1980 mg/L active ingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.1394	34.01	20.1
2	5.1	0.1380	33.66	20.1
3	6.2	0.1378	33.62	20.1
4	7.1	0.1378	33.62	20.1
5	8.1	0.1374	33.52	20.1
6	9.1	0.1372	33.47	20.1
7	10.1	0.1373	33.49	20.1
8	11.1	0.1374	33.52	20.1
9	12.2	0.1374	33.52	20.1
10	13.1	0.1374	33.52	20.1
Mean			33.59
Standard Deviation			0.16

 

MeasuredValuesTestSubstanceFirstSeries5500mg/Ltestsubstance(2178mg/Lactiveingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.1405	34.27	20.0
2	5.1	0.1388	33.86	20.0
3	6.2	0.1402	34.20	20.0
4	7.1	0.1388	33.86	20.0
5	8.1	0.1385	33.79	20.0
6	9.1	0.1384	33.76	20.0
7	10.1	0.1376	33.57	20.0
8	11.2	0.1386	33.81	20.0.
9	12.2	0.1382	33.71	20.0
10	13.1	0.1381	33.69	20.0
Mean			33.85
Standard Deviation			0.22

 

Measured Values Test Substance Second Series 5500 mg/L test substance (2178 mg/L active ingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.1	0.1416	34.54	20.1
2	5.1	0.1406	34.30	20.1
3	6.1	0.1403	34.23	20.1
4	7.1	0.1402	34.20	20.1
5	8.1	0.1399	34.13	20.1
6	9.1	0.1398	34.10	20.1
7	10.1	0.1397	34.08	20.1
8	11.1	0.1397	34.08	20.1
9	12.1	0.1397	34.08	20.1
10	13.1	0.1396	34.05	20.1
Mean			34.18
Standard Deviation			0.15

 MeasuredValuesTestSubstanceFirstSeries6000mg/Ltestsubstance(2376mg/Lactiveingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.1416	34.54	20.3
2	5.1	0.1404	34.25	20.3
3	6.1	0.1404	34.25	20.3
4	7.1	0.1401	34.18	20.3
5	8.1	0.1402	34.20	20.3
6	9.1	0.1403	34.23	20.3
7	10.1	0.1402	34.20	20.3
8	11.1	0.1402	34.20	20.4
9	12.1	0.1400	34.15	20.4
10	13.1	0.1401	34.18	20.4
Mean			34.24
Standard Deviation			0.11

 

Measured Values Test Substance Second Series 6000 mg/L test substance (2376 mg/L active ingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.1	0.1420	34.64	20.3
2	5.1	0.1407	34.32	20.3
3	6.1	0.1404	34.25	20.3
4	7.1	0.1404	34.25	20.3
5	8.1	0.1406	34.30	20.3
6	9.1	0.1406	34.30	20.3
7	10.1	0.1405	34.27	20.3
8	11.1	0.1404	34.25	20.3
9	12.1	0.1405	34.27	20.3
10	13.1	0.1403	34.23	20.3
Mean			34.31
Standard Deviation			0.12

 MeasuredValuesTestSubstanceFirstSeries7500mg/Ltestsubstance(2970mg/Lactiveingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.1505	36.71	20.3
2	5.2	0.1495	36.47	20.3
3	6.1	0.1496	36.49	20.3
4	7.1	0.1493	36.42	20.3
5	8.1	0.1489	36.32	20.3
6	9.1	0.1491	36.37	20.3
7	10.1	0.1492	36.40	20.3
8	11.1	0.1492	36.40	20.3
9	12.1	0.1492	36.40	20.3
10	13.1	0.1490	36.35	20.3
Mean			36.43
Standard Deviation			0.11

 

Measured Values Test Substance Second Series 7500 mg/L test substance (2970 mg/L active ingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.1	0.1474	35.96	20.1
2	5.1	0.1464	35.71	20.1
3	6.1	0.1464	35.71	20.1
4	7.1	0.1461	35.64	20.1
5	8.1	0.1462	35.66	20.1
6	9.1	0.1461	35.64	20.1
7	10.1	0.1459	35.59	20.1
8	11.1	0.1459	35.59	20.1
9	12.1	0.1457	35.54	20.1
10	13.1	0.1460	35.62	20.1
Mean			35.67
Standard Deviation			0.12

 MeasuredValuesTestSubstanceFirstSeries10000mg/Ltestsubstance(3960mg/Lactiveingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.1570	38.30	20.2
2	5.2	0.1556	37.96	20.2
3	6.2	0.1556	37.96	20.2
4	7.2	0.1552	37.86	20.2
5	8.2	0.1556	37.96	20.2
6	9.2	0.1556	37.96	20.2
7	10.2	0.1555	37.93	20.2
8	11.2	0.1557	37.98	20.2
9	12.2	0.1555	37.93	20.2
10	13.2	0.1552	37.86	20.2
Mean			37.97
Standard Deviation			0.12

 

Measured Values Test Substance Second Series 10000 mg/L test substance (3960 mg/L active ingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.1	0.1560	38.06	20.0
2	5.1	0.1549	37.79	20.0
3	6.1	0.1550	37.81	20.0
4	7.1	0.1548	37.76	20.0
5	8.1	0.1547	37.74	20.0
6	9.1	0.1548	37.76	20.0
7	10.1	0.1547	37.74	20.0
8	11.1	0.1544	37.67	20.0
9	12.1	0.1545	37.69	20.0
10	13.1	0.1546	37.71	20.0
Mean			37.77
Standard Deviation			0.11

 MeasuredValuesTestSubstanceFirstSeries15000mg/Ltestsubstance(5940mg/Lactiveingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.1	0.1619	39.49	20.1
2	5.1	0.1611	39.30	20.1
3	6.1	0.1609	39.25	20.1
4	7.1	0.1609	39.25	20.1
5	8.1	0.1608	39.23	20.1
6	9.1	0.1608	39.23	20.1
7	10.1	0.1607	39.20	20.1
8	11.1	0.1608	39.23	20.1
9	12.1	0.1607	39.20	20.1
10	13.1	0.1606	39.18	20.1
Mean			39.26
Standard Deviation			0.09

 

Measured Values Test Substance Second Series 15000 mg/L test substance (5940 mg/L active ingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.1622	39.57	20.0
2	5.2	0.1611	39.30	20.0
3	6.2	0.1610	39.28	20.0
4	7.2	0.1609	39.25	20.0
5	8.1	0.1607	39.20	20.0
6	9.2	0.1607	39.20	20.0
7	10.1	0.1608	39.23	20.0
8	11.2	0.1605	39.15	20.1
9	12.1	0.1607	39.20	20.1
10	13.2	0.1609	39.25	20.1
Mean			39.26
Standard Deviation			0.12

 MeasuredValuesTestSubstanceFirstSeries20000mg/Ltestsubstance(7920mg/Lactiveingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.1646	40.15	20.1
2	5.1	0.1632	39.81	20.1
3	6.1	0.1629	39.74	20.1
4	7.1	0.1629	39.74	20.1
5	8.1	0.1627	39.69	20.1
6	9.1	0.1628	39.71	20.1
7	10.1	0.1629	39.74	20.1
8	11.1	0.1628	39.71	20.1
9	12.1	0.1628	39.71	20.1
10	13.1	0.1627	39.69	20.1
Mean			39.77
Standard Deviation			0.14

 

Measured Values Test Substance Second Series 20000 mg/L test substance (7920 mg/L active ingredient)

 

Measurement	Time	Mass	Surface Tension	Temperature
No	s	g	mN/m	°C
1	4.2	0.1648	40.20	20.1
2	5.2	0.1636	39.91	20.1
3	6.2	0.1637	39.93	20.1
4	7.2	0.1635	39.89	20.1
5	8.2	0.1634	39.86	20.1
6	9.2	0.1635	39.89	20.1
7	10.2	0.1633	39.84	20.1
8	11.2	0.1636	39.91	20.1
9	12.2	0.1633	39.84	20.1
10	13.2	0.1636	39.91	20.1
Mean			39.92
Standard Deviation			0.11

Interpretation ofResults

Measured Values 

Concentration (test substance) mg/L	Concentration (active ingredient) mg/L	First Series in mN/m	Second Series in mN/m
100	39.6	70.49	69.97
500	198	59.88	56.34
1000	396	48.19	48.62
2500	990	34.06	36.32
4000	1584	33.51	32.42
4500	1782	32.82	31.81
5000	1980	33.26	33.59
5500	2178	33.85	34.18
6000	2376	34.24	34.31
7500	2970	36.43	35.67
10000	3960	37.97	37.77
15000	5940	39.26	39.26
20000	7920	39.77	39.92

 

A deepest point (smallest value of the surface tension) was detected as 4500 mg/L (test substance) and 1782 mg/L (active ingredient) the concentration of this point should be stated as the critical micelle concentration. The yielded values of the surface tension were plotted in a graph against the concentration of the test substance solution. For graph, kindly refer the attached background material section of the IUCLID.

The CMC was determined to be 4500mg/L (equivalent to 1782 mg a.i./L).

Conclusions:

Under the study conditions, the water solubility as CMC of the test substance was determined to be 4500 mg/L (equivalent to 1782 mg a.i./L) at 20°C.

Executive summary:

A study was conducted to determined the water solubility of the test substance, C12 -14 HEDMAC ( 39.6% active) based on critical micelle concentration (CMC), according to OECD Guideline 115 and EU Method A.5, in compliance with GLP. Due to the surface activity of the test substance, the CMC value was considered as a water soluibility equivalent in accordance with the ECHA R.7a Guidance. Under the study conditions, the CMC or water solubility of the test substance was determined to be 4500 mg/L (equivalent to 1782 mg a.i./L) at 20°C (Krebs, 2019).

Description of key information

The water solubility of the test substance (39.6% active) was determined using critical micelle concentration (CMC) method according to OECD Guideline 115 and EU Method A.5, which is recommended for surface active substances (Krebs, 2019).

Key value for chemical safety assessment

Water solubility:

1 782 mg/L

at the temperature of:

20 °C

Additional information

(high water solubility)