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EC number: 452-330-3 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
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:
- 26 November 2003 to 01 December 2003
- 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)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- Pow
- Partition coefficient:
- 14
- Temp.:
- 25 °C
- pH:
- 5
- Type:
- log Pow
- Partition coefficient:
- 1.2
- Temp.:
- 25 °C
- pH:
- 5
- Type:
- Pow
- Partition coefficient:
- 14
- Temp.:
- 25 °C
- pH:
- 7
- Type:
- log Pow
- Partition coefficient:
- 1.1
- Temp.:
- 25 °C
- pH:
- 7
- Type:
- Pow
- Partition coefficient:
- 13
- Temp.:
- 25 °C
- pH:
- 9
- Type:
- log Pow
- Partition coefficient:
- 1.1
- Temp.:
- 25 °C
- pH:
- 9
- Details on results:
- Following centrifugation, the equilibrium concentrations of the test item in either the two clear separated phases were all less than 2483 mg/L i.e. less than 0.01 molar.
The individual log Pow values of all six samples varied between 1.14 to 1.17 for the citrate buffer, 1.12 and 1.15 for the phosphate buffer and 1.10 and 1.16 for the borax buffer solutions. All were found to be within the range of ± 0.3 log units. - Conclusions:
- Under the conditions of the test, the partition coefficients of the test material at 25 °C was Pow 14 (± 0.30), 14 (± 0.38) and 13 (± 0.62) for buffer solutions at pH5, pH7 and pH 9 respectively. The respective log Pow values were 1.2, 1.1 and 1.1. The study is considered to be reliable, relevant and adequate for risk assessment and classification and labelling purposes.
- Executive summary:
The octanol/water partition coefficient of the test material was determined in accordance with the standardised guidelines OECD 107, EU Method A.8 and EPA OPPTS 830.7550 using the shake flask method. Under the conditions of the test the partition coefficients of the test material at 25 °C were Pow 14 (± 0.30), 14 (± 0.38) and 13 (± 0.62) for buffers solutions at pH 5 (citrate buffer), pH 7 (phosphate buffer) and pH 9 (borate buffer) respectively. The respective log Pow values were 1.2, 1.1 and 1.1.
Reference
Table 1: Results with buffer solution pH 5
Sample number |
P1 |
P2 |
P3 |
P4 |
P5 |
P6 |
Amount of test material (mg) |
30.3088 |
29.2121 |
62.3125 |
60.2188 |
14.8553 |
16.1514 |
Volume of octanol (mL) |
20 |
20 |
40 |
40 |
10 |
10 |
Volume of water (mL) |
20 |
20 |
20 |
20 |
20 |
20 |
Concentration of the test material in the octanol phase (mg/L) |
1469.220 |
1423.408 |
1542.763 |
1545.409 |
1423.382 |
1471.300 |
1471.972 |
1401.249 |
1593.563 |
1490.749 |
1422.459 |
1453.813 |
|
Average concentration: |
1470.596 |
1412.329 |
1568.163 |
1518.079 |
1422.921 |
1462.557 |
Concentration of the test material in the aqueous phase (mg/L) |
103.054 |
100.832 |
111.355 |
106.919 |
96.386 |
105.439 |
102.307 |
102.122 |
111.304 |
106.649 |
96.465 |
102.957 |
|
Average concentration: |
102.681 |
101.477 |
111.330 |
106.784 |
96.426 |
104.198 |
pH of aqueous phase |
4.97 |
4.97 |
4.97 |
4.97 |
4.97 |
4.98 |
Average pH of aqueous phase |
5.00 |
|||||
Amount of test material in the octanol phase (mg) |
29.4119 |
28.2466 |
62.7265 |
60.7232 |
14.2292 |
16.6256 |
Amount of test material in the aqueous phase (mg) |
2.0536 |
2.0295 |
2.2266 |
2.1357 |
19.2850 |
2.0840 |
Total amount of test material in the two phases (mg) |
31.4655 |
30.2761 |
64.9531 |
62.8589 |
16.1577 |
16.7096 |
Recovery (%) |
104 |
104 |
104 |
104 |
109 |
103 |
Pow |
14.32 |
13.92 |
14.09 |
14.22 |
14.76 |
14.04 |
Average Pow |
14.12 |
14.16 |
14.40 |
|||
Average Pow ± standard deviation |
14 ± 0.30 |
|||||
Log Pow |
1.2 |
Table 2: Results with buffer solution pH 7
Sample number |
P1 |
P2 |
P3 |
P4 |
P5 |
P6 |
Amount of test material (mg) |
23.7286 |
23.4295 |
29.4115 |
30.8073 |
18.9430 |
18.8433 |
Volume of octanol (mL) |
20 |
20 |
40 |
40 |
10 |
10 |
Volume of water (mL) |
20 |
20 |
20 |
20 |
20 |
20 |
Concentration of the test material in the octanol phase (mg/L) |
1127.954 |
1123.905 |
728.501 |
764.207 |
1637.202 |
1644.009 |
1155.229 |
1103.739 |
726.507 |
774.955 |
1658.220 |
1688.024 |
|
Average concentration: |
1141.592 |
1113.822 |
727.504 |
769.581 |
1648.711 |
1666.017 |
Concentration of the test material in the aqueous phase (mg/L) |
82.254 |
78.122 |
53.768 |
55.310 |
119.415 |
127.703 |
81.653 |
78.659 |
54.392 |
55.124 |
117.680 |
124.929 |
|
Average concentration: |
81.954 |
78.391 |
54.080 |
55.217 |
118.548 |
126.316 |
pH of aqueous phase |
6.99 |
6.99 |
7.00 |
7.00 |
7.00 |
6.99 |
Average pH of aqueous phase |
7.00 |
|||||
Amount of test material in the octanol phase (mg) |
22.8318 |
22.2764 |
29.1002 |
30.7832 |
16.4871 |
16.6602 |
Amount of test material in the aqueous phase (mg) |
1.6391 |
1.5678 |
1.0816 |
1.1043 |
2.3710 |
2.5263 |
Total amount of test material in the two phases (mg) |
24.4709 |
23.8442 |
30.1818 |
31.8875 |
18.8581 |
19.1865 |
Recovery (%) |
103 |
102 |
103 |
104 |
100 |
102 |
Pow |
13.93 |
14.21 |
13.45 |
13.94 |
13.91 |
13.19 |
Average Pow |
14.07 |
13.70 |
13.55 |
|||
Average Pow ± standard deviation |
14 ± 0.38 |
|||||
Log Pow |
1.1 |
Table 3: Results with buffer solution pH 9
Sample number |
P1 |
P2 |
P3 |
P4 |
P5 |
P6 |
Amount of test material (mg) |
29.0127 |
28.8133 |
30.1094 |
31.2061 |
27.9160 |
28.2151 |
Volume of octanol (mL) |
20 |
20 |
40 |
40 |
10 |
10 |
Volume of water (mL) |
20 |
20 |
20 |
20 |
20 |
20 |
Concentration of the test material in the octanol phase (mg/L) |
1427.103 |
1402.427 |
747.179 |
716.648 |
2324.970 |
2434.682 |
1410.997 |
1395.177 |
738.297 |
716.165 |
2356.201 |
2413.251 |
|
Average concentration: |
1419.050 |
1398.802 |
742.738 |
716.407 |
2340.586 |
2423.967 |
Concentration of the test material in the aqueous phase (mg/L) |
102.778 |
97.631 |
55.312 |
57.700 |
175.047 |
180.058 |
101.749 |
96.936 |
56.789 |
56.281 |
177.874 |
185.136 |
|
Average concentration: |
102.264 |
97.284 |
56.051 |
56.991 |
176.461 |
182.597 |
pH of aqueous phase |
9.04 |
9.05 |
9.05 |
9.04 |
9.04 |
9.04 |
Average pH of aqueous phase |
9.00 |
|||||
Amount of test material in the octanol phase (mg) |
28.3810 |
27.9760 |
29.7095 |
28.6563 |
23.4059 |
24.2397 |
Amount of test material in the aqueous phase (mg) |
2.0456 |
1.9457 |
1.1210 |
1.1398 |
3.5292 |
3.6519 |
Total amount of test material in the two phases (mg) |
30.4263 |
29.9217 |
30.8305 |
29.7961 |
26.9351 |
27.8916 |
Recovery (%) |
105.0 |
104.0 |
102.0 |
95.5 |
96.5 |
98.9 |
Pow |
13.88 |
14.38 |
13.25 |
12.57 |
13.26 |
13.27 |
Average Pow |
14.13 |
12.91 |
13.27 |
|||
Average Pow ± standard deviation |
13 ± 0.62 |
|||||
Log Pow |
1.1 |
Description of key information
Log Pow 1.1 (Pow 14), at 25 °C and pH 7, OECD TG 107, Das 2003a
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.1
- at the temperature of:
- 25 °C
Additional information
The octanol/water partition coefficient of the test material was determined in two studies in accordance with the standardised guidelines OECD 107, EU Method A.8 and EPA OPPTS 830.7550. In the key study (Das 2003a), using the shake flask method with buffered solutions, the partition coefficients of the test substance at 25 °C were Pow 14 (± 0.30), 14 (± 0.38) and 13 (± 0.62) for buffers solutions at pH 5 (citrate buffer), pH 7 (phosphate buffer) and pH 9 (borate buffer) respectively. The respective log Pow values were 1.2, 1.1 and 1.1. In the supporting study (Das 2003b), the octanol/water partition coefficient was determined to be Pow 8.6 (± 0.14) (log Pow 0.93) at 25 °C, using the same guidelines (non-buffered solutions).
The partition coefficient does not vary greatly between the different testing approaches and overall indicate the same property of the test material. Both studies were reported to a high standard, performed in compliance with GLP and to standardised guidelines. The results from the shake flask method are selected as the key value because there are a direct measurement of the octanol-water partitioning, and the more conservative result. Although, none of the standardised tests for partition coefficient are considered suitable for surface active materials (slow-stirring is considered the most appropriate test), the two studies examine the partition coefficient at different pHs and demonstrate little difference in the partitioning coefficients in each test. Both studies were assigned a reliability score of Klimisch 1 and as such were considered suitable for use as an accurate reflection of the test substance.
The available data are considered to be complete and the result determined, log Pow 1.1 (Pow 14), at 25 °C and pH 7, was taken forward for risk assessment.
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