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EC number: 701-404-6 | CAS number: -
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- Appearance / physical state / colour
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- Particle size distribution (Granulometry)
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- Partition coefficient
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Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- This study was conducted between 20 February 2017 and 21 June 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study is considered to be a reliability 1 as it has been conducted according to OECD TG 117 and in compliance with GLP.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 13 April 2004
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - HPLC Method)
- Version / remarks:
- EC No. 440/2008 of 30 May 2008
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- Identification : 4,4'-Isopropylidenediphenol, oligomeric reaction products with 1-chloro-2,3-epoxypropane, reaction products with triethylenetetramine
Appearance/Physical state: Pale yellow paste
Batch : #01725
Purity : 100% UVCB
Expiry date : 01 September 2021
Storage conditions*: Room temperature in the dark
* Test item was held at room temperature in the dark, heated to approximately 60 °C for subsampling, as per Sponsor’s communications. - Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- 0.292
- Key result
- Type:
- Pow
- Partition coefficient:
- 1.97
- Temp.:
- 24 °C
- Details on results:
- Preliminary Estimate
The Log10 Pow was calculated to be: -0.02 to -1.97 (major 3 components) - Conclusions:
- The partition coefficient of the test item has been determined to be 1.97 at 24.0 ± 1.0 °C, log10 Pow 0.292.
- Executive summary:
The general physico-chemical properties of 4,4'-Isopropylidenediphenol, oligomeric reaction products with 1-chloro-2,3-epoxypropane, reaction products with triethylenetetramine have been determined.
Partition Coefficient 1.97 at 24.0±1.0°C, log10Pow0.292,using the shake-flask method, designed to be compatible with Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 13 April 2004.
Reference
Definitive Test
The mean peak areas obtained for the standard, stock and sample solutions are shown in the following two tables:
Organic Phase
Solution |
Mean peakarea |
Standard 213 mg/L |
1.4375 x 107 |
Standard 193 mg/L |
1.2715 x 107 |
Organic phase matrix blank |
None detected |
Sample 1 A |
1.8183 x 107 |
Sample 1 B |
1.7941 x 107 |
Sample 2 A |
1.6749 x 107 |
Sample 2 B |
1.6942 x 107 |
Sample 3A |
9.6739 x 106 |
Sample 3 B |
9.2597 x 106 |
Sample 4 A |
1.0867 x 107 |
Sample 4 B |
1.1250 x 107 |
Sample 5 A |
2.4929 x 107 |
Sample 5 B |
2.4857 x 107 |
Sample 6 A |
2.4131 x 107 |
Sample 6 B |
2.4837 x 107 |
Aqueous Phase
Solution |
Mean peakarea |
Standard 213 mg/L |
1.5714 x 107 |
Standard 193 mg/L |
1.3437 x 107 |
Aqueous phase matrix blank |
None detected |
Sample 1 A |
9.8034 x 106 |
Sample 1 B |
1.0624 x 107 |
Sample 2 A |
8.0682 x 106 |
Sample 2 B |
8.2883 x 106 |
Sample 3A |
6.2087 x 106 |
Sample 3 B |
6.1073 x 106 |
Sample 4 A |
5.3090 x 106 |
Sample 4 B |
5.3467 x 106 |
Sample 5 A |
1.3426 x 107 |
Sample 5 B |
1.3666 x 107 |
Sample 6 A |
1.4772 x 107 |
Sample 6 B |
1.3810 x 107 |
Stock solution A |
2.7582 x 107 |
Stock solution B |
2.8056 x 107 |
The total weights (mg) and analyzed concentration (mg/L) of the respective phases are shown in the following table:
Sample number |
Average |
Organic phase |
Aqueous phase |
% recovery |
|||
Mean analyzed concentration (mg/L) |
Mean weight (mg)† |
Mean analyzed concentration (mg/L) |
Mean weight (mg)† |
pH |
|||
1 |
140 |
2.71 x 103 |
97.5 |
1.43 x 103 |
51.3 |
11.7 |
107 |
2 |
171 |
2.53 x 103 |
111 |
1.14 x 103 |
50.2 |
11.7 |
94.5 |
3 |
85.4 |
1.42 x 103 |
62.5 |
8.59 x 102 |
18.9 |
11.7 |
95.3 |
4 |
69.8 |
1.66 x 103 |
59.7 |
7.43 x 102 |
13.4 |
11.6 |
105 |
5 |
171 |
3.73 x 103 |
82.1 |
1.89 x 103 |
83.2 |
11.7 |
96.8 |
6 |
140 |
3.67 x 103 |
66.1 |
1.99 x 103 |
71.8 |
11.7 |
98.7 |
pH of n-octanol saturated water: 12.0
pH of stock solution: 11.7
Temperature: 24.0 ± 1.0°C
The partition coefficient determined for each sample is shown in the following table:
Sample number |
Organic/aqueous volume ratio |
Partition coefficient |
Log10Pow |
Mean partition coefficient |
1 |
1:1 |
1.90 |
0.279 |
2.06 |
2 |
2.21 |
0.345 |
||
3 |
2:1 |
1.65 |
0.218 |
1.94 |
4 |
2.23 |
0.349 |
||
5 |
1:2 |
1.97 |
0.295 |
1.91 |
6 |
1.84 |
0.265 |
Mean Pow :1.97 log10Pow:0.292 Powstandard deviation :0.223
1.1.2 Validation
The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of50to500mg/Lfor both aqueous and organic matrices. The results were satisfactory with a correlation coefficient (r) of≥0.998being obtained.
*From analysis of the stock solution
†From analysis of the respective phase
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.97
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