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EC number: 941-319-3 | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Partition coefficient
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:
- 2 010
- 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:
- 2 009
- 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
- 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
Constituent 1
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.
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