Registration Dossier
Registration Dossier
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EC number: 204-368-5 | CAS number: 120-07-0
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
- Justification for type of information:
- 1. SOFTWAREsee Mackay, D. 2001. "Multimedia Environmental Models: The Fugacity Approach - Second Edition", Lewis Publishers, Boca Raton, pp. 1-261.2. MODEL (incl. version number)Mackay Level I v3.003. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL- molar mass- temperature- water solubility- vapor pressure- melting point- log kow4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL For details see Mackay, D. (2001); Mackay et al. (1996)5. APPLICABILITY DOMAINFor details see Mackay, D. (2001); Mackay et al. (1996)6. ADEQUACY OF THE RESULT A Level I calculation is not required under REACh but gives a general impression of the likely media into which a chemical will tend to partition and an indication of relative concentrations in each medium.
Data source
Materials and methods
- Model:
- calculation according to Mackay, Level I
- Release year:
- 2 004
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- 2,2'-phenyliminodiethanol
- EC Number:
- 204-368-5
- EC Name:
- 2,2'-phenyliminodiethanol
- Cas Number:
- 120-07-0
- Molecular formula:
- C10H15NO2
- IUPAC Name:
- 2-[(2-hydroxyethyl)(phenyl)amino]ethan-1-ol
Constituent 1
Study design
- Test substance input data:
- - Molar mass: 181.24 g/mol (EPISuite v4.11)- Data temperature: 20°C - Water solubility: 48400 mg/L (@20 °C; BASF SE, 2016; report no.: 15L00544)- Vapour pressure: 3.09 Pa (MPBVP v1.43, EPISuite v4.11)- log Pow: 0.63 (KOWWIN v1.68, EPISuite v4.11)- Melting point: 57 °C (Physprop Database)
Results and discussion
Percent distribution in media
- Air (%):
- 0.4
- Water (%):
- 95.5
Any other information on results incl. tables
Over time, the substance will preferentially distribute into the compartments water (99.5%) and air (0.4%).
The data refer to the uncharged molecule (calculated pKa value: 4.36)
Applicant's summary and conclusion
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