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Diss Factsheets
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EC number: 474-190-2 | CAS number: 875471-31-1
- 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
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- Experimental dates: 03 April to 31 July 2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted according to an internationally recognised method, and under GLP. No deviation affected the quality of the study. The substance is adequately characterised. Therefore full validation applies.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 103 (Boiling Point)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.2 (Boiling Temperature)
- Version / remarks:
- Commission Regulation (EC) No 440/2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- issued 01/08/2019
- Type of method:
- differential scanning calorimetry
- Specific details on test material used for the study:
- Storage Conditions: Refrigerated (2 to 8°C), dark, in an amber glass bottle.
- Key result
- Boiling pt.:
- ca. 300 °C
- Atm. press.:
- ca. 1 atm
- Decomposition:
- yes
- Decomp. temp.:
- >= 160 °C
- Executive summary:
The boiling point of the test substance was determined under GLP according to OECD103/EU A2 guidelines.
A first test with the Siwoloboff capillary method suggested degradation upon heating, which was confirmed using the Differential Scanning Calorimetry (DSC) method.
The substance decomposes from ca 160°C, before boiling..
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- July 20, 2020
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- 1. SOFTWARE
EPI Suite (US EPA) v4.1
2. MODEL (incl. version number)
MPBPWIN v1.43 (September 2010)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=C1CCC(CCCCC)CO1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
generally acknowledged source
5. APPLICABILITY DOMAIN
The model is considered suitable as all fragments are described and for MW < 1000 g/mol.
6. ADEQUACY OF THE RESULT
The estimation is provided to be used as input for the prediction of Vapour Pressure, as the bp could not be experimentally determined. - Principles of method if other than guideline:
- QSAR calculation
- GLP compliance:
- no
- Boiling pt.:
- 283.16 °C
- Atm. press.:
- 1 atm
- Executive summary:
The vapour pressure of the substance was modelled with the MBBPVP Vapour Pressure Estimation tool, which is part of the US EPA Episuite modelling tool box.
The substance was characterised with its SMILES code.
The predicted normal Boiling Point is 283°C.
Referenceopen allclose all
An exotherm from approximately 160°C indicated decomposition of the test item, while a very broad endotherm centred at approximately 300°C was consistent with boiling of the degraded sample. A black residue was present in the crucible after testing.
adapted Stein and Brown method
Description of key information
The substance decomposes from ca 160°C, before boiling..
Key value for chemical safety assessment
Additional information
A fully reliable experimental study, conducted according to a recognized OECD/EU method and under GLP, is available.
It is considered as a key study, however, as the substance was found to decompose, no transition value can be retained as key data.
As a supporting information, the QSAR calculated boiling point was also provided, as the input is needed to estimated the Vapour Pressure.
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