Registration Dossier
Registration Dossier
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EC number: 619-013-3 | CAS number: 94345-95-6
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:
- February 18, 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Specific details on test material used for the study:
- Name: O-METHYL-L-DIIODOTHYRONIN
Batch No.: B488840
Appearance: white, powder
Manufacturing date: September 25, 2018
Expiry date: September 24, 2020
Storage condition: at room temperature, protected from light - Key result
- Water solubility:
- >= 0.39 - <= 0.47 mg/L
- Conc. based on:
- act. ingr. (dissolved fraction)
- Incubation duration:
- ca. 24 h
- Temp.:
- 20 °C
- pH:
- ca. 7.55
- Key result
- Water solubility:
- >= 0.4 - <= 0.48 mg/L
- Incubation duration:
- ca. 48 h
- Temp.:
- 20 °C
- pH:
- ca. 7.37
- Key result
- Water solubility:
- >= 0.38 - <= 0.48 mg/L
- Incubation duration:
- ca. 72 h
- Temp.:
- 20 °C
- pH:
- ca. 7.26
- Conclusions:
- In conclusion the water solubility of O-METHYL-L-DIIODOTHYRONIN was determined to be 0.43 ± 0.01 mg/L (95% confidence interval) at 20 ± 1 °C and pH ca. 7.4, using the shake-flask method for the performance.
- Executive summary:
In the course of this study the water solubility of O-METHYL-L-DIIODOTHYRONIN was determined using the shake-flask method for the performance of the main test.
The water solubility: 0.43 ± 0.01 mg/L (95% confidence interval) at 20 °C and pH 7.4.
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2021
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- The programme WSKOWWIN estimates the water solubility of an organic compound using the compounds log octanol-water partition coefficient.
The programme WATERNT estimates the water solubility of an organic compound. It requires only a chemical structure and is based upon a fragment constant method. - Specific details on test material used for the study:
- SMILES used: SMILES : COc1ccc(cc1)Oc2c(cc(cc2I)CC(C(=O)O)N)I
- Water solubility:
- ca. 0.034 mg/L
- Temp.:
- 25 °C
- Conclusions:
- Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.03362 - Executive summary:
The water solubility of the substance was calculated by QSAR model WSKOWWIN to 0.03362 g/L at 25 °C.
Referenceopen allclose all
Description of key information
The water solubility of O-METHYL-L-DIIODOTHYRONIN was determined to be 0.43 ± 0.01 mg/L (95% confidence interval) at 20 ± 1 °C and pH ca. 7.4, using the shake-flask method for the performance.
The water wolubility Estimate from Log Kow (WSKOW v1.42) at 25 deg C (mg/L): 0.03362
Key value for chemical safety assessment
Additional information
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