Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

Referenceopen allclose all

Endpoint:
partition coefficient
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Collection of data. Experimental result cited in EPIWIN.
Principles of method if other than guideline:
Data base match on EPIWIN programme v1.67, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.00. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
not specified
Remarks:
No more details available, data from collection of data.
Type of method:
other: measured
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
0.25
Remarks on result:
other: No information on pH and temperature available.

Value from database, no data given for temperature and pH.

Endpoint:
partition coefficient
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Data from handbook or collection of data.
Principles of method if other than guideline:
No more details available, database match.
GLP compliance:
not specified
Remarks:
No more details available, database match.
Type of method:
other: measured
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
0.25
Remarks on result:
other: No information on pH and temperature available.

Value from publication, no data given for temperature and pH.

Endpoint:
partition coefficient
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Peer reviewed data source.
Qualifier:
no guideline followed
Principles of method if other than guideline:
No more details available, data from ICSC.
GLP compliance:
not specified
Remarks:
No more details available, data from ICSC.
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
0.21
Remarks on result:
other: No information on pH and temperature available.

No information given on temperature or pH.

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on KOWWIN v1.68, Estimation Programs Interface Suite™ for Microsoft® Windows v4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
-0.64
Remarks on result:
other: QSAR result, no information on pH and temperature available.

QSAR result; pH and temperature are not reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on KOWWIN v1.68, Estimation Programs Interface Suite™ for Microsoft® Windows v4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
-1.24
Remarks on result:
other: QSAR result, no information on pH and temperature available.

QSAR result; pH and temperature are not reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted calculation method
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Principles of method if other than guideline:
Calculation based on KOWWIN v1.68, Estimation Programs Interface Suite™ for Microsoft® Windows v4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
0.36
Remarks on result:
other: QSAR result, no information on pH and temperature available.

QSAR result; pH and temperature are not reported. For detailed description of the model and its applicability, see "Any other information on materials and methods incl. tables".

Description of key information

log Pow = -1.24 - 0.36

Key value for chemical safety assessment

Additional information

The log Pow of the substance "Reaction mixture of glycerol-1,3-di(acetate), glycerol acetate and triacetin"

(EC 905-964-4) was determined by QSAR calculation with KOWWIN (v1.68).

Publicly available data for triacetin show a log Pow for the triester component within the above mentioned range (/log Pow = 0.21 - 0.25) and are supporting.