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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
adsorption / desorption
Remarks:
other: calculation program
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Calculated data, internationally accepted method; the software is mentioned in the guidance document “Guidance on information requirements and chemical safety assessment” Chapter R.7a: Endpoint specific guidance

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Report date:
2014

Materials and methods

Principles of method if other than guideline:
The calculation was performed using PCKOCWIN v.2.00 (U.S. Environmental Protection Agency) on a personal computer running Windows 7. The structure is entered into PCKOCWIN by SMILES nota-tions. For details on the PCKOCWIN v.2.00 model methodology, accuracy and domain please refer to the individual documentation of the respective model user guide.
GLP compliance:
no
Type of method:
other: calculation program
Media:
other: calculation program

Test material

Constituent 1
Chemical structure
Reference substance name:
1,1,3-trichloroacetone
EC Number:
213-063-6
EC Name:
1,1,3-trichloroacetone
Cas Number:
921-03-9
Molecular formula:
C3H3Cl3O
IUPAC Name:
1,1,3-trichloropropan-2-one

Results and discussion

Adsorption coefficientopen allclose all
Type:
log Koc
Remarks:
calculated
Value:
1.13
Remarks on result:
other: Koc Estimate from MCI
Type:
log Koc
Remarks:
calculated
Value:
1.37
Remarks on result:
other: Koc Estimate from Log Kow

Applicant's summary and conclusion