Violet sodium polysulfide aluminosilicate with a SOD-type framework structure

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15 October 2020 to 20 October 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - Shake Flask Method)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Partition coefficient type:

octanol-water

Analytical method:

other:

Key result

Type:

log Pow

Partition coefficient:

-1.47

Temp.:

24.5 °C

pH:

>= 7.8 - <= 7.85

Table 1. Determination of precision (% RSD) and accuracy (% recovery) of presaturated milli-Q water (date of analysis -16/10/2020)

Sample Code	Conc. of Sample (ppb)	Sample Volume Taken (mL)	Final Sample Volume (mL)	Dilution Factor	Conc. Obtained (ppb)	Conc. Obtained (mg/L)	Nominal Conc. (mg/L)	Recovery (%)	Mean Recovery (%)	SD (±)	RSD (%)
Control 1	BLLOQ	1.5	50.0	1.0	-	-	-	-	-	-	-
ACC 1 R1 W	39.75	1.5	50.0	1.0	1325.00	1.33	1.34	98.88	97.87	1.40	1.43
ACC 1 R2 W	38.98	1.5	50.0	1.0	1299.33	1.30	1.34	96.96
ACC 1 R3 W	40.08	1.5	50.0	1.0	1336.00	1.34	1.34	99.70
ACC 1 R4 W	38.71	1.5	50.0	1.0	1290.33	1.29	1.34	96.29
ACC 1 R5 W	39.20	1.5	50.0	1.0	1306.67	1.31	1.34	97.51
Control 2	BLLOQ	3.0	50.0	1.0	-	-	-	-	-	-	-
ACC 2 R1 W	75.56	3.0	50.0	10.0	12593.33	12.59	13.38	94.12	94.16	0.92	0.98
ACC 2 R2 W	77.00	3.0	50.0	10.0	12833.33	12.83	13.42	95.63
ACC 2 R3 W	75.58	3.0	50.0	10.0	12596.67	12.60	13.36	94.29
ACC 2 R4 W	75.17	3.0	50.0	10.0	12528.33	12.53	13.42	93.36
ACC 2 R5 W	75.25	3.0	50.0	10.0	12541.67	12.54	13.43	93.39

 

Table 2. Determination of precision (% RSD) and accuracy (% recovery) of presaturated n-octanol (date of analysis -17/10/2020)

Sample Code	Conc. of Sample (ppb)	Sample Volume Taken (mL)	Final Sample Volume (mL)	Dilution Factor	Conc. Obtained (ppb)	Conc. Obtained (mg/L)	Nominal Conc. (mg/L)	Recovery (%)	Mean Recovery (%)	SD (±)	RSD (%)
Control 1	BLLOQ	1.5	50.0	1.0	-	-	-	-	-	-	-
ACC 1 R1 W	39.59	1.5	50.0	1.0	1319.67	1.32	1.34	98.48	98.72	0.79	0.80
ACC 1 R2 W	39.27	1.5	50.0	1.0	1309.00	1.31	1.34	97.69
ACC 1 R3 W	40.15	1.5	50.0	1.0	1338.33	1.34	1.34	99.88
ACC 1 R4 W	39.69	1.5	50.0	1.0	1323.00	1.32	1.34	98.73
ACC 1 R5 W	39.73	1.5	50.0	1.0	1324.33	1.32	1.34	98.83
Control 2	BLLOQ	3.0	50.0	1.0	-	-	-	-	-	-	-
ACC 2 R1 W	78.29	3.0	50.0	10.0	13048.33	13.05	13.36	97.67	98.40	0.92	0.93
ACC 2 R2 W	79.68	3.0	50.0	10.0	13280.00	13.28	13.39	99.18
ACC 2 R3 W	79.70	3.0	50.0	10.0	13283.33	13.28	13.40	99.13
ACC 2 R4 W	78.07	3.0	50.0	10.0	13011.67	13.01	13.39	97.17
ACC 2 R5 W	79.96	3.0	50.0	10.0	13326.67	13.33	13.48	98.86

 

Table 3. Determination of partition coefficient

Sample code	Conc. of Sample (ppb)	Sample Volume Taken (mL)	Final Sample Volume (mL)	Dilution Factor	Conc. Obtained (ppb)	Conc. Obtained (mg/L)	Mean Conc. Obtained (mg/L)	Pow	Log (Pow)	Mean Log (Pow)
1:1 Octanol R1	42.72	5	50	1.0	427.20	0.43	0.43	0.03	-1.46	-1.47
1:1 Octanol R2	42.77	5	50	1.0	427.70	0.43
1:1 Water R1	62.45	5	50	20.0	12490.00	12.49	12.54
1:1 Water R2	62.98	5	50	20.0	12596.00	12.60
1:2 Octanol R1	32.61	5	50	1.0	326.10	0.33	0.33	0.04	-1.41
1:2 Octanol R2	33.10	5	50	1.0	331.00	0.33
1:2 Water R1	41.99	5	50	20.0	8398.00	8.40	8.47
1:2 Water R2	42.66	5	50	20.0	8532.00	8.53
2:1 Octanol R1	42.20	5	50	1.0	422.00	0.42	0.42	0.03	-1.55
2:1 Octanol R2	42.35	5	50	1.0	423.50	0.42
2:1 Water R1	74.22	5	50	20.0	14844.00	14.84	14.82
2:1 Water R2	73.95	5	50	20.0	14790.00	14.79

 

 

 

 

Conclusions:

The experimentally obtained value of log Kow of the test substance at 24.5ºC is -1.47.

Executive summary:

The partition coefficient n-octanol/water (log Kow) of the test item was determined according to EU method A.8 and OECD Guideline107, using the Shake Flask Method. The content of the substance in n-octanol and water was assessed by the quantification of aluminium content in the test item. Aluminium content in obtained samples was determined by inductively coupled plasma mass spectrometry (ICP-MS). The validation of the analytical method was done based on SANCO/3029/99, rev 4.0 and all parameters assessed were within the acceptability criteria. The Partition coefficient of the test substance was determined to have a mean log Pow of -1.47 at 24.5 ºC and at pH 7.80 to 7.85.

Description of key information

Key study. Test method according to OECD 107 / EU Method A.8 (shake flask method), GLP study. The experimentally obtained value of log Kow of the test substance at 24.5ºC and pH 7.80 to 7.85 is -1.47.

Key value for chemical safety assessment

Log Kow (Log Pow):

-1.47

at the temperature of:

24.5 °C