Registration Dossier
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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 464-320-6 | CAS number: 423772-95-6
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 04/14/2020
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPI Suite v4.11
2. MODEL (incl. version number)
BCFBAF (BCFWIN) v3.02
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O1CC(O)C(O)C(O)C1OCC(CCCCCCCC)CCCCCCCCCC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See the QMRF and QPRF attached documents in the section "attached justification"
- Defined endpoint: Environmental fate: Bioconcentration (BCF) in fish (log BCF) (unitless)
- Unambiguous algorithm: See the QMRF and QPRF attached documents in the section "attached justification"
- Defined domain of applicability: See the QMRF and QPRF attached documents in the section "attached justification"
The model classifies a compound as either ionic or non-ionic. Ionic compounds include
carboxylic acids, sulfonic acids and salts of sulfonic acids, and charged nitrogen compounds
(nitrogen with a +5 valence such as quaternary ammonium compounds). All other compounds
are classified as non-ionic.
Therefore, the test item as a polyalcohol is considered as a non-ionic compound by the model
for both descriptors.
- Appropriate measures of goodness-of-fit and robustness and predictivity: No uncertainty measure is given for the prediction.
- Mechanistic interpretation:Log KOW is considered to be the key parameter explaining the transfer from water to the lipidic phase of the fish cell. The assumption is that bioconcentration is a thermodynamically driven partitioning process between water and the lipid phase of the exposed organism, and therefore can be modeled using n-octanol as a surrogate for biological lipids.
5. APPLICABILITY DOMAIN
See the QMRF and QPRF attached documents in the section "attached justification"
6. ADEQUACY OF THE RESULT
The test item falls within the applicability domain of the model and was therefore reliably predicted for its log BCF. - Qualifier:
- according to guideline
- Guideline:
- other: OECD (2004). Principles for the validation, for regulatory purposes, of (Quantitative) Structure Activity-Relationship Models.
- Deviations:
- not applicable
- GLP compliance:
- no
- Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Not applicable, QSAR calculation
- Route of exposure:
- other: Not applicable, QSAR calculation
- Justification for method:
- other: Not applicable, QSAR calculation
- Test type:
- not specified
- Total exposure / uptake duration:
- ca. 28 d
- Total depuration duration:
- ca. 14 d
- Key result
- Type:
- BCF
- Value:
- ca. 1 555 L/kg
- Basis:
- whole body w.w.
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The log BCF of the test item was predicted as 3.19 (BCF = 1.55E+03 L/kg (wet weight)).
The test item falls within the applicability domain of the model and was therefore reliably predicted
for its log BCF.
Reference
The test item falls within the descriptor domain of the model (Molecular weight = 430.66 g/mol and log Kow = 7.69 at 25°C).
log BCF of the test item was predicted as 3.19 (1555 L/kg (wet weight)).
Description of key information
The log BCF has been predicted using the model BCFBAF (v3.02) from EPI Suite software (v4.11) which provides a quantitative prediction of bioconcentration factor (BCF) of the test substance in fish or specified tissues thereof divided by the concentration of the chemical in the surrounding medium at steady state.
The log BCF is calculated as follows: 3.19.
Key value for chemical safety assessment
- BCF (aquatic species):
- 1 550 L/kg ww
Additional information
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.