Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

distribution modelling
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
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

calculation according to Mackay, Level I
Release year:
2 004
air - biota - sediment(s) - soil - water

Test material

Constituent 1
Chemical structure
Reference substance name:
EC Number:
EC Name:
Cas Number:
Molecular formula:

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 (%):
Water (%):

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