Registration Dossier
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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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EC number: 950-347-5 | 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Remarks:
- QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR study, acceptable with restrictions
- Justification for type of information:
- QSAR prediction
The justification for read across is provided as an attachment in IUCLID Section 13. - Reason / purpose for cross-reference:
- read-across: supporting information
- Principles of method if other than guideline:
- QSAR: KOCWIN (Kow method). A training set of 516 substances was used to derive a regression based estimate of Koc based on log Kow. Equations were tested with a validation data set consisting of 158 compounds.
- GLP compliance:
- no
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
not applicable
SMILES: c1ccccc1COC(=O)C2CCCCC2C(=O)OC(C(C)C)C(C)(C)COC(=O)C(C)(C) - Test temperature:
- not applicable
- Details on study design: HPLC method:
- not applicable
- Details on sampling:
- not applicable
- Details on matrix:
- not applicable
- Details on test conditions:
- not applicable
- Computational methods:
- not applicable
- Key result
- Type:
- log Koc
- Value:
- 4.915 dimensionless
- Type:
- Koc
- Value:
- 82 170 dimensionless
- Details on results (HPLC method):
- not applicable
- Adsorption and desorption constants:
- not applicable
- Recovery of test material:
- not applicable
- Concentration of test substance at end of adsorption equilibration period:
- not applicable
- Concentration of test substance at end of desorption equilibration period:
- not applicable
- Details on results (Batch equilibrium method):
- No further details - QSAR calculation
- Statistics:
- not applicable
- Conclusions:
- The calculated log Koc of P1700 is 4.915
- Executive summary:
Experimental data for this endpoint is not available for Santicizer P1700. Instead, a standard QSAR that has been used previously in regulatory risk assessment has been used to calculate a log Koc, and is considered appropriate as the key study for this endpoint.
Reference
Based on Kow value from KOWWIN
Description of key information
This data is read across from the source dossier that tested Santicizer S278 (benzyl 3-(isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl phthalate) based on analogue read across. A discussion and report on the read across strategy is provided as an attachment in Section 13 of the dossier.
The mean estimated log Koc for Santicizer P1700 is 4.915.
Key value for chemical safety assessment
- Koc at 20 °C:
- 16 218
Additional information
Experimental adsorption/desorption data is not available for Santicizer P1700.As the log Kow is >3 the adsorption/desorption endpoint cannot be waived. However, ECHA's Guidance on Information Requirements and Chemical Safety Assessment R7a Endpoint Specific Guidance (2008) indicates that before commissioning a new study alternative sources of data (e.g. QSAR) on the adsorption/desorption potential of a chemical should be used.
Soil sorption of non-ionic substances can be estimated from their log Kow. Several QSAR have been developed that calculate the Koc of non-polar hydrocarbons on the basis of their log Kow. Two QSARs (the two methods of KOCWIN, USEPA 2008) have been used to calculate the log Koc of structural analogue Santicizer 278. The estimated log Koc are 6.099 and 4.666, and the mean of these values will be used in the risk assessment.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.