4,4'-Isopropylidenediphenol, polymer with 1-chloro-2,3-epoxypropane, propane-1,2-diol acrylate and succinic anhydride

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 19 March, 2004 to 22 March, 2004

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

no

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

ca. 1.1 - ca. 6.2

Temp.:

20.6 °C

Remarks on result:

other: The test substance is a mixture of components. For the major component, the log Pow is 3.5. For the minor components, the log Pow is between <1.1 and 5.1 except for one component for which log Pow value is > 6.2.

Key result

Type:

log Pow

Partition coefficient:

ca. 3.5

Temp.:

20.6 °C

Remarks on result:

other: for constituents/peaks with 67.7% peak area

Key result

Type:

log Pow

Partition coefficient:

ca. 6.2

Temp.:

20.6 °C

Remarks on result:

other: for a peak with 16.2% peak area

Key result

Type:

log Pow

Partition coefficient:

ca. 1.1 - ca. 5.1

Temp.:

20.6 °C

Remarks on result:

other: for constituents/peaks with <5% peak area summing up to 12.11% peak area

Key result

Type:

log Pow

Partition coefficient:

ca. 1.1 - <= 4.6

Temp.:

20.6 °C

Remarks on result:

other: for constituents/peaks with <1% peak area% summing up to around 4%

Details on results:

Using 75/25 (v/v) methanol/milli-Q water as the mobile phase, a LiChrospher 100 RP-18 column and a spectrophotometric detector set to read the absorbance at 210 nm, one large and nineteen small test substance peaks were observed in the chromatograms of the 48.7 mg/L test substance solution which were recorded for 40 min. The temperature of the column oven was 20.6 ± 0.3°C during the test. It was assumed that all peaks derive from the test substance. The to (the retention time of the unretarded component) was determined to be 1.073 min as a mean value of both measurements (i.e.1.073 and 1.072 min).

Refer to attached document under 'Attached background material' for results of HPLC method.

	Log Pow	Pow	Area %
impurity 1 (peak 1)	<1.1	<1.3x10^1	0.58
impurity 2 (peak 2)	<1.1	<1.3x10'	0.04
impurity 3 (peak 3)	<1.1	<1.3x10^1	2.26
impurity 4 (peak 4)	<1.1	<1.3x10^1	0.4
impurity 5 (peak 5)	1.2^a	1.8x10^1	0.23
impurity 6 (peak 6)	2.3^a	2.1x10^2	2.78
impurity 7 (peak 7)	2.7^a	4.6x10^2	0.72
impurity 8 (peak 8)	2.8^a	6.8x10^2	0.03
impurity 9 (peak 9)	3.0^a	9.0x10^2	0.04
impurity 10 (peak 10)	3.0^a	1.1x10^3	0.08
impurity 11 (peak 11)	3.3^a	1.9x10^3	0.54
major component (peak 12)	3.5^a	3.3x10^3	67.7
impurity 12 (peak 13)	3.7^a	5.5x10^3	1.91
impurity 13 (peak 14)	3.9^a	7.5x10^3	0.25
impurity 14 (peak 15)	4.3^a	2.0x10^4	0.16
impurity 15 (peak 16)	4.4^a	2.5x10^4	0.5
impurity 16 (peak 17)	4.6^a	3.7x10^4	0.4
impurity 17 (peak 18)	4.8^a	6.1x10^4	2.43
impurity 18 (peak 19)	5.1^a	1.3x10^5	2.73
impurity 19 (peak 20)	>6.2	>1.6x10^6	16.2

a: Interpolated from the regression line: log k' = 0.353*log Pow - 0.731 (r=0.986, n = 6)

Therefore, the summary of the results is as follows:

	Log Pow	Area %
Major component (peak 12)	3.5	67.7
Impurity Peak 20	6.2	16.2
Impurities Peaks 3+6+13+18+19	<1.1-5.1	12.11
Impurities Peaks 1+2+4+5+7+8+9+10+11+14+15+16+17	<1.1-4.6	3.97

Conclusions:

The substance is a UVCB with several components. For the major component, the log Kow is 3.5. For minor components, the log Kow is between <1.1 and 5.1 except for one component (summing up to 16.2% peak area) for which the value is > 6.2.

Executive summary:

A study was conducted to determine the partition coefficient (n-octanol/water) of the test substance according to OECD Guideline 117 and EU Method A.8, in compliance with GLP. The test substance is a mixture of compounds, so the HPLC method was chosen for the determination of the partition coefficient (n-octanol/water). Using 75/25 (v/v) methanol/milli-Q water as the mobile phase, a 125 mm LiChrospher 100 RP-18 column and a spectrophotometric detector set to read the absorbance at 210 nm, one large and nineteen small test substance peaks were observed in the HPLC chromatograms of the test substance. For the major component, the Kow is 3.3 x 10³ (log Kow = 3.5). For the minor components, Kow values range from < 1.3 x 10¹ to 1.3 x 10⁵ (log Kow between <1.1 and 5.1), except for one component (which sums up to 16.2 area %) for which the log Pow value > 6.2 (Baltussen, 2004). Therefore, as a conservative approach, the highest log Kow of 6.2 has been considered further for hazard/risk assessment.

Description of key information

The octanol-water partition coefficient was determined according to OECD Guideline 117 and EU Method A.8 (HPLC method) (Baltussen, 2004).

Key value for chemical safety assessment

Log Kow (Log Pow):

6.2

at the temperature of:

20.6 °C

Additional information

The test substance is a UVCB and the log Kow of all constituents ranges between 1.1 and 6.2 i.e.,

- log Kow of the major constituents (present at 67.7% peak area) is 3.5;

- log Kow of the minor constituents (present at 16.2% peak area) is >6.2;

- log Kow of the minor constituents (present at >1 -<5% peak area, summing up to 12.11% peak area) ranges from <1.1 -5.1; and

- log Kow of the minor constituents (present at <1%, summing up to 3.97% peak area) ranges from <1.1- 4.6

 

Therefore, as a conservative approach, the highest log Kow of 6.2 corresponding to the minor constituent present at 16.2% peak area has been considered further for hazard/risk assessment.