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EC number: 951-275-7 | CAS number: -
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental starting date: 17 July 2017 Experimental completion date: 29 September 2017.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- flask method
- Specific details on test material used for the study:
- Identification: FRET 14-0383
Chemical name: Octahydro-1-(methoxymethylene)-4,7-methano-1H-indene, mixture of isomers
Description: clear colorless liquid
Batch number: GM435-17
Purity: 95.2%
Expiry date: 01 January 2019
Storage conditions: approximately 4 °C, in the dark - Key result
- Water solubility:
- ca. 0.004 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- >= 6.3 - <= 7.1
- Details on results:
- Preliminary test:
The preliminary estimate of the water solubility at 20.0 ± 0.5 °C was approx. 5.2 x 10^-3 g/L. The solution had a pH of 4.4.
Validation
The linearity of the detector response with respect to concentration for the GC-MS method was assessed over the nominal concentration range of 1 to 10 mg/L. The results were satisfactory with a correlation coefficient (r) of 0.999 being obtained.
The linearity of the detector response with respect to concentration for the HPLC method was assessed over the nominal concentration range of 1 to 20 mg/L. The results were satisfactory with a correlation coefficient (r) of 1.000 being obtained. - Conclusions:
- The water solubility of FRET-14-0383 was determined to be 3.7 x 10^-3 mg/L @ 20 ± 0.5 °C using OECD TG 105 (Water solubility) using the flask method in compliance with GLP.
- Executive summary:
The water solubility of FRET-14-0383 was determined to be 3.7 x 10^-3 mg/L @ 20 ± 0.5 °C using OECD TG 105 (Water solubility) using the flask method in compliance with GLP.
Reference
Intermediate Test 1 and 2
The concentration (g/L) of test item in the sample solutions is shown in the following table:
Sample Number |
Time Shaken at 30 ºC (hours) |
Concentration (g/L) |
Solution pH |
1 |
24½ |
2.23 x 10-3 |
5.6 |
2 |
48½ |
9.99 x 10-4 |
5.2 |
3 |
72½ |
5.93 x 10-4 |
5.0 |
4 |
1 |
5.17 x 10-3 |
6.4 |
5 |
2 |
2.35 x 10-3 |
6.2 |
6 |
3 |
4.21 x 10-3 |
6.5 |
Definitive test:
The mean peak heights relating to the standard and sample solutions are shown in table below.
Solution |
Mean Peak Area |
Standard 5.16 mg/L |
2.2015 x 105 |
Standard 5.16 mg/L |
2.1374 x 105 |
Matrix blank |
none detected |
Sample 1A |
7.7923 x 105 |
Sample 1B |
7.7469 x 105 |
Sample 2A |
4.7259 x 105 |
Sample 2B |
4.5944 x 105 |
Sample 3A |
6.2567 x 105 |
Sample 3B |
6.2962 x 105 |
Standard 5.16 mg/L |
2.1896 x 106 |
Standard 5.16 mg/L |
2.1558 x 106 |
Sample 4A |
7.5605 x 105 |
Sample 4B |
7.3463 x 105 |
Sample 5A |
6.2524 x 105 |
Sample 5B |
5.8553 x 105 |
Sample 6A |
3.4107 x 105 |
Sample 6B |
3.2024 x 105 |
The concentration (g/l) of test material in the sample solutions is shown in the table below.
Sample Number |
Time Shaken at 30 ºC (hours) |
Concentration (g/L) |
Solution pH |
1 |
1 |
3.70 x 10-3 |
7.0 |
2 |
2 |
2.22 x 10-3 |
7.0 |
3 |
3 |
2.99 x 10-3 |
7.1 |
4 |
24 |
3.54 x 10-3 |
6.4 |
5 |
48 |
2.88 x 10-3 |
6.6 |
6 |
72 |
1.57 x 10-3 |
6.3 |
Description of key information
The water solubility of FRET-14-0383 was determined to be 3.7 x 10^-3 mg/L @ 20 ± 0.5 °C using OECD TG 105 (Water solubility) using the flask method in compliance with GLP.
Key value for chemical safety assessment
- Water solubility:
- 0.004 mg/L
- at the temperature of:
- 20 °C
Additional information
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