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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 201-788-0 | CAS number: 87-99-0
- 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
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Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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
- Remarks:
- The scientific validity of the (Q)SAR model has been established in accordance with the OECD Principles for (Q)SAR Model Validation.
- Principles of method if other than guideline:
- MPBPWIN v1.43
QMRF and QPRF are attached in IUCLID - GLP compliance:
- no
- Type of method:
- other: QSAR, Modified Grain Method
- Vapour pressure:
- 0.002 mm Hg
- Remarks on result:
- other: Using measured BP of 216°C & MP of 93.5°C
- Vapour pressure:
- 0.329 Pa
- Remarks on result:
- other: Using measured BP of 216°C & MP of 93.5°C
- Conclusions:
- 2.47E-03 mmHg (0.329 Pa) estimated using measured BP 216°C & MP 93.5°C in MPBPWIN v1.43 Modified Grain Method.
- Executive summary:
A vapour pressure (VP) of 2.47E-03 mm Hg (Modified Grain Method) was estimated using the measured boiling point of 216°C and melting point of 93.5°C in MPBPWIN v1.43. This equates to a VP of 0.329 Pa.
The test set of the VP portion of the MPBPWIN v1.43 was extracted and clustered with the test substance to identify closely related analogues from which an evaluation could be made of the robustness of the VP estimate. Leadscope clustering helped to identify nine other analogues with predicted and experimental values in good agreement. The estimated value for the test substance is hence expected to be a reasonable prediction. Adequate documentation has been provided by way of the QPRF and the associated QMRF for MPBPWIN v1.43. In accordance with section 1.3 for (Q)SAR within Annex XI of the REACH text, all the conditions have been satisfied.
Reference
Supporting documentation is provided in the attached QPRF and QMRF.
Description of key information
Estimated using measured BP 216°C & MP 93.5°C in MPBPWIN v1.43 Modified Grain Method.
Key value for chemical safety assessment
- Vapour pressure:
- 0.329 Pa
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.
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