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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2013
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Level 1 distribution modelling has been performed using a validated level I spreadsheet model

Data source

Materials and methods

Model:
calculation according to Mackay, Level I
Calculation programme:
Validated Spreadsheet model according to publication of D. Mackay.

Test material

Constituent 1
Reference substance name:
Dodecyl fatty acids, 2-sulfoethyl ester, sodium salt
IUPAC Name:
Dodecyl fatty acids, 2-sulfoethyl ester, sodium salt

Study design

Test substance input data:
MW = 332.43 g/mol (C12 derivative)
VP = 0.0015 Pa
S = 102 mg/L
Log K(oct-water) = set to 4.116 to realistically predict sorption to soil/sediment based on back calculation from Koc of 1451 L/kg (non-hydrophobics QSAR EUSES)

Results and discussion

Percent distribution in media

Air (%):
0.008
Water (%):
7.79
Soil (%):
90.14
Sediment (%):
2.003
Susp. sediment (%):
0.063
Biota (%):
0.005

Applicant's summary and conclusion

Conclusions:
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Executive summary:

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