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EC number: 618-347-7 | CAS number: 9003-01-4
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 2016-10-27 to 2017-03-21
- 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:
- yes
- Remarks:
- The method used was the flask method even if the surface tension was unknown. This method was followed successfully and there was no impact on the results.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Deviations:
- yes
- Remarks:
- The method used was the flask method even if the surface tension was unknown. This method was followed successfully and there was no impact on the results.
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- 2015-07-28
- Type of method:
- other: shake flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Composition of test material: 2-carboxyethyl acrylate oligomers (= homopolymers of acrylic acid + 2-carboxyethyl acrylate) and acrylic acid
- Analytical purity: >=99%
- Purity test date: 24 August 2016
- Lot/batch No.: BA5H22021
- Expiration date of the lot/batch: 24 August 2017
- Appearance: Colourless limpid liquid
- Storage: In darkness at room temperature
For the analysis, a different batch of the test item (BA5E47549) was used as reference item. - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.27
- Temp.:
- 20 °C
- pH:
- >= 3.59 - <= 3.63
- Remarks on result:
- other: based on acrylic acid monomers
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.23
- Temp.:
- 20 °C
- pH:
- >= 3.59 - <= 3.63
- Remarks on result:
- other: based on 2-carboxyethyl acrylate oligomers
- Conclusions:
- The n-octanol/water partition coefficient log10 Pow of the test item was found to be in the range 0.23-0.27 based on analytical measurements performed on its main constituents (acrylic acid monomers and 2-carboxyethyl acrylate oligomers).
- Executive summary:
The n-octanol/water partition coefficient log10 Pow of the test item was determined in a GLP-compliant study performed in accordance with EC A.8 method and OECD Guideline No. 107, using the shake-flask method. The n-octanol/water partition coefficient log10 Pow of the test item was found to be in the range 0.23-0.27 based on analytical measurements performed on its main constituents (acrylic acid monomers and 2-carboxyethyl acrylate oligomers).
Reference
Partition coefficient results
The results for the acrylic acid monomers in the two phases are given in the following table:
Identification |
Peaks area ATEST |
Conc.
(mg/L) |
Mean Conc. CD (mg/L) |
Dilution factor Df |
Concentration before dilution C (mg/L) |
Coctanol/ C water |
Log Pow |
16-217 A8 A1 |
8.8119 |
5.01 |
5.02 |
20 |
100.3 |
1.842 |
0.265 |
8.8412 |
5.02 |
||||||
16-217 A8 A1 |
6.5961 |
3.69 |
3.70 |
50 |
184.8 |
||
6.6051 |
3.70 |
||||||
16-217 A8 A2 |
8.9825 |
5.11 |
5.11 |
20 |
102.2 |
1.878 |
0.274 |
8.9925 |
5.11 |
||||||
16-217 A8 A2 |
6.8398 |
3.84 |
3.84 |
50 |
192.0 |
||
6.8465 |
3.84 |
||||||
16-217 A8 B1 |
10.7659 |
6.17 |
6.18 |
20 |
123.6 |
1.871 |
0.272 |
10.8059 |
6.19 |
||||||
16-217 A8 B1 |
8.1933 |
4.64 |
4.62 |
50 |
231.1 |
||
8.1340 |
4.61 |
||||||
16-217 A8 B2 |
10.8407 |
6.21 |
6.21 |
20 |
124.2 |
1.843 |
0.266 |
10.8425 |
6.21 |
||||||
16-217 A8 B2 |
8.0806 |
4.57 |
4.58 |
50 |
229.0 |
||
8.1007 |
4.59 |
||||||
16-217 A8 C1 |
6.7751 |
3.80 |
3.80 |
20 |
76.0 |
1.837 |
0.264 |
6.7800 |
3.80 |
||||||
16-217 A8 C1 |
5.0826 |
2.80 |
2.79 |
50 |
139.6 |
||
5.0734 |
2.79 |
||||||
16-217 A8 C2 |
6.6470 |
3.72 |
3.72 |
20 |
74.4 |
1.848 |
0.267 |
6.6406 |
3.72 |
||||||
16-217 A8 C2 |
5.0038 |
2.75 |
2.75 |
50 |
137.6 |
||
5.0110 |
2.75 |
Mean Log Pow |
0.27 |
The results for the 2-carboxyethyl acrylate oligomers in the two phases are given in the following table:
Identification |
Peak area ATEST |
Conc. (mg/L) |
Mean Conc. CD (mg/L) |
Dilution factor Df |
Concentration before dilution C (mg/L) |
Coctanol/ C water |
Log Pow |
16-217 A8 A1 |
24.9826 |
24.36 |
24.39 |
20 |
487.7 |
1.680 |
0.225 |
25.0283 |
24.41 |
||||||
16-217 A8 A1 |
16.8443 |
16.38 |
16.39 |
50 |
819.3 |
||
16.8613 |
16.39 |
||||||
16-217 A8 A2 |
25.2629 |
24.64 |
24.67 |
20 |
493.5 |
1.710 |
0.233 |
25.3358 |
24.71 |
||||||
16-217 A8 A2 |
17.3448 |
16.87 |
16.87 |
50 |
843.7 |
||
17.3571 |
16.88 |
||||||
16-217 A8 B1 |
30.5495 |
29.83 |
29.84 |
20 |
596.8 |
1.711 |
0.233 |
30.5793 |
29.86 |
||||||
16-217 A8 B1 |
21.0031 |
20.46 |
20.42 |
50 |
1021.0 |
||
20.9231 |
20.38 |
||||||
16-217 A8 B2 |
30.7862 |
30.06 |
30.06 |
20 |
601.2 |
1.671 |
0.223 |
30.7830 |
30.06 |
||||||
16-217 A8 B2 |
20.6172 |
20.08 |
20.09 |
50 |
1004.5 |
||
20.6390 |
20.10 |
||||||
16-217 A8 C1 |
18.4922 |
17.99 |
18.03 |
20 |
360.5 |
1.697 |
0.230 |
18.5561 |
18.06 |
||||||
16-217 A8 C1 |
12.6380 |
12.25 |
12.23 |
50 |
611.6 |
||
12.6042 |
12.22 |
||||||
16-217 A8 C2 |
18.1802 |
17.69 |
17.66 |
20 |
353.2 |
1.696 |
0.229 |
18.1234 |
17.63 |
||||||
16-217 A8 C2 |
12.3545 |
11.97 |
11.98 |
50 |
599.0 |
||
12.3741 |
11.99 |
Mean Log Pow |
0.23 |
The concentration of the starting water test item solution (16-217 A8) was equal to 1.56 g/L.
The temperature during the partition phase was equal to 20.0 °C ± 1.0 °C.
The pH of the water saturated phase before the partition was equal to 6.74 at 20.0 °C.
The pH of the aqueous phase solutions after the partition were between 3.59 and 3.63 at 20.0 °C.
Description of key information
The n-octanol/water partition coefficient log10 Pow of the REACH substance was determined in a GLP-compliant study performed in accordance with EC A.8 method and OECD Guideline No. 107, using the shake-flask method. The n-octanol/water partition coefficient log10 Pow of the test item was found to be in the range 0.23-0.27 based on analytical measurements performed on its main constituents (acrylic acid monomers and 2-carboxyethyl acrylate oligomers).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 0.27
- at the temperature of:
- 20 °C
Additional information
The n-octanol/water partition coefficient log10 Pow of the REACH substance was determined in a GLP-compliant study performed in accordance with standard methods, with minor deviations. The study is considered as reliable (Klimisch 1) and is selected as a key study for the endpoint.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
