Registration Dossier
Registration Dossier
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EC number: 200-823-7 | CAS number: 74-94-2
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 22 August 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE: EpiSuite v4.1
2. MODEL: KOWWIN v1.68
3. SMILES: CN(H)(C)B(H)(H)H
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
Please refer to QMRF attachment.
5. APPLICABILITY DOMAIN
Please refer to QPRF attachment.
6. ADEQUACY OF THE RESULT
The estimated log Kow for dimethylamine-borane (1:1) is very low (-3.28) and suggests hydrophilic properties associated with a minor potential for adsorption and bioaccumulation. Despite having a dipolar ionic structure which is not considered by the EpiSuite calculation, the result is in good accordance with an experimental value for good water solubility. The final result is considered adequate for a regulatory conclusion without risk assessment (substance registration for 1-10 t/a). a - Qualifier:
- no guideline required
- Principles of method if other than guideline:
- QSAR calculation
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- -3.28
- Remarks on result:
- other: Temperature and pH not available as low Pow was determined by QSAR calculation.
- Conclusions:
- The log Kow of dimethylamine-borane (1:1) estimated by EpiSuite v4.1 / KOWWIN v1.68 is -3.28.
- Executive summary:
The log Kow of dimethylamine-borane (1:1) estimated by EpiSuite v4.1 / KOWWIN v1.68 is -3.28. The estimated log Kow for dimethylamine-borane (1:1) is very low and suggests hydrophilic properties associated with a minor potential for adsorption and bioaccumulation. Despite having a dipolar ionic structure which is not considered by the EpiSuite calculation, the result is in good accordance with an experimental value for good water solubility (121 g/L) expecting a low log Kow value.
Reference
Description of key information
The log Kow of dimethylamine-borane (1:1) estimated by EpiSuite v4.1 / KOWWIN v1.68 is -3.28. The estimated log Kow for dimethylamine-borane (1:1) is very low and suggests hydrophilic properties associated with a minor potential for adsorption and bioaccumulation. Despite having a dipolar ionic structure which is not considered by the EpiSuite calculation, the result is in good accordance with an experimental value for good water solubility (121 g/L) expecting a low log Kow value.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -3.28
Additional information
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