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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
accepted calculation method
Cross-reference
Reason / purpose for cross-reference:
data waiving: supporting information
Reference
Endpoint:
partition coefficient
Data waiving:
study technically not feasible
Justification for data waiving:
the study does not need to be conducted because the substance does not dissolve in water or in octanol
Justification for type of information:
As stated in Annex VII of REACH, the Partition coefficient test cannot be performed because the substance does not dissolve in water or in octanol. In this case, the the same Annex VII requires a calculated value for log P as well as details of the calculation method shall be provided.

Therefore, to be in accordance with the Annex VII, please find attached read-across approach to determine the partition coefficient of the substance PALMITOYL GRAPE SEED EXTRACT.

According to this read-across approach, the log Pow or log Kow of our substance PALMITOYL GRAPE SEED EXTRACT is demonstrated to be between 0 and 1.



Data source

Referenceopen allclose all

Reference Type:
publication
Title:
Modification of grape seed and wood tannins to lipophilic antioxidant derivatives
Author:
Laboratoire d’Etudes et de Recherches sur le Matériau Bois – Nancy-Université
Year:
2010
Bibliographic source:
ELSEVIER
Report date:
2010
Reference Type:
publication
Title:
Annex 9 : Guidance on hazards to the aquatic environment
Author:
United Nations Economic Commission for Europe
Year:
2009
Bibliographic source:
Globally Harmonized System of Classification and Labelling of Chemicals (GHS)

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
other: UNECE (The United Nations Economic Commission for Europe)
Deviations:
no
Qualifier:
according to guideline
Guideline:
other: Nancy-University laboratory method
Deviations:
no
Principles of method if other than guideline:
The principles of Nancy-University method used in the study have not been published.

Test material

Constituent 1
Reference substance name:
Esterification products of Grape seeds, Vitis vinifera L. (Vitaceae), extract with hexadecanoyl chloride
EC Number:
941-319-3
Molecular formula:
Unknown (Substance of Unknown or Variable Composition)
IUPAC Name:
Esterification products of Grape seeds, Vitis vinifera L. (Vitaceae), extract with hexadecanoyl chloride

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
log Pow
Partition coefficient:
ca. 0.15
Remarks on result:
other: Measured log PoW value. The pH and the temperature have not been specified.
Key result
Type:
log Pow
Partition coefficient:
ca. 0.26
Remarks on result:
other: Measured log PoW value. The pH and the temperature have not been specified.
Key result
Type:
log Pow
Partition coefficient:
ca. 0.5
Remarks on result:
other: Measured log PoW value. The pH and the temperature have not been specified.
Key result
Type:
log Pow
Partition coefficient:
ca. 0.81
Remarks on result:
other: Measured log PoW value. The pH and the temperature have not been specified.
Key result
Type:
log Pow
Partition coefficient:
ca. 0.97
Remarks on result:
other: Measured log PoW value. The pH and the temperature have not been specified.

Applicant's summary and conclusion

Conclusions:
According to the Annex 9 « Guidance on hazards to the aquatic environment » of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), published by UNECE (The United Nations Economic Commission for Europe), point A9.1.10, « There are a number of typical interpretational problems, however, that can be characterized by the type of substance being studied. These are commonly called:
- Poorly soluble substances: these substances are difficult to test because they present problems in soluble preparation, and in concentration maintenance and verification during aquatic toxicity test. […]. Interpretation of the partitioning behaviour can also be problematic where the poor solubility in water and octanol may be compounded by insufficient sensitivity in the analytical method. Water solubility may be difficult to determine and is frequently recorded as simply being less than the detection limit, creating problems in interpreting both aquatic toxicity and bioaccumulation studies. ».

According to point A.9.5.2.4.2. « Experimental determination of Kow », it is mentioned « As for the shake-flask method, the slow-stirring method applies only to essentially pure substances soluble in water and in n-octanol. The HPLC method, which is performed on analytical columns, is recommended when the log Kow value falls within the range 0 to 6. […]. As an experimental determination of the Kow is not always possible, e.g. for very water-soluble substances, very lipophilic substances, and surfactants, a QSAR-derived Kow may be used ».

Our substances Esterification products of Grape seeds, Vitis vinifera L. (Vitaceae), extract with hexadecanoyl chloride (EC number = 941-319-3) is an UVCB, not soluble in water and in octanol.
Moreover, there isn’t any existing specific HPLC analytical method for our UVCB.
According to the study « Modification of grape seed and wood tannins to lipophilic
antioxidant derivatives » by Bouddah Poaty, Stéphane Dumarc¸ ay, Philippe Gérardin, Dominique Perrin (Laboratoire d’Etudes et de Recherches sur le Matériau Bois – IFR 110, Nancy-Université, Faculté des Sciences et Techniques, BP 70239, 54506 Vandoeuvre-lès-Nancy, France), the
lipophilic character of grape seed esterified by a fatty acid and oxa-Pictet–Spengler coupling has been measured through their partition coefficient between octanol and water. According to this study, Log Kow regularly increases with the length of the grafted alkyl in grape seed extract derivatives.
The Log Kow of the derivatives of grape seed extract were found to be between 0,15 to 0,97.

Our substance PALMITOYL GRAPE SEED EXTRACT is a grape seed extract of Vitis vinifera L. (Vitaceae), esterified with hexadecanoyl chloride.
The manufacturing process involves two steps: preparation of procyanidin oligomers extract from grape seed and its esterification with hexadecanoyl chloride (palmitoyl chloride).

The preparation of Vitis Vinifera (Grape) Seed Extract described in this report is similar to the manufacturing process of our substance PALMITOYL GRAPE SEED EXTRACT as it consists to an esterification of grape seed extract with a fatty acid.

Thus the content and the conclusion of this report is reliable and robust to demonstrate that the Log Kow of our substance PALMITOYL GRAPE SEED EXTRACT is between 0 and 1, and considering to be 1 as a worst case value.