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EC number: 202-442-1 | CAS number: 95-70-5
- 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
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2011-08-02
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method was used, study therefore can be rated as reliable with restrictions.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6, May/July 2008
- Deviations:
- not applicable
- Principles of method if other than guideline:
- A calculation method recommended by ECHA guidance documents was being applied.
- GLP compliance:
- no
- Type of method:
- other:
- Temp.:
- 25 °C
- Vapour pressure:
- 0.454 Pa
- Remarks on result:
- other: MPBPVP, Modified Grain Method (recommended by ECHA guidance documents)
- Temp.:
- 25 °C
- Vapour pressure:
- 0.424 Pa
- Remarks on result:
- other: MPBPVP, Antoine method
- Temp.:
- 25 °C
- Vapour pressure:
- 0.788 Pa
- Remarks on result:
- other: MPBPVP, Mackay method
- Temp.:
- 25 °C
- Vapour pressure:
- 0.139 Pa
- Remarks on result:
- other: SPARC
- Conclusions:
- The vapour pressure resulting from the modified Grain method of 0.454 Pa at 25 °C is the selected VP value for 2-methyl-p-phenylenediamine .The QSPR result is considered as valid.
- Executive summary:
The purpose of this study is to determine the vapour pressure of test item 2-methyl-p-phenylenediamine via a non-experimental mechanism.
Based on recommendation given by ECHA’s “Guidance on information requirements and chemical safety assessment - Chapter R.7a: Endpoint specific guidance”, the vapour pressure of 2-methyl-p-phenylenediaminehas been computed via different appropriate QSPR methods In this study QSPR computations were based on freely available software SPARC and MPBPVP (i.e.MPBPWIN, included inEPISUITE).
The principal scientific validity of the model approach is being discussed in cited method references. The validity according to the OECD Series on Testing and Assessment No. 69 (Validation of QSPR models) is being assessed in this study report. As final conclusion, the criteria for validity of the estimation methods used are fulfilled and the QSPR methods therefore reveal data of significant relevance.
The vapour pressure values computed via different appropriate QSPR methods form a rather uniform data set, pointing uniformly in the direction of test item2-methyl-p-phenylenediamine having a low vapour pressure within the range of 0.1 to 0.8
According to both ECHA’s “Guidance on information requirements and chemical safety assessment - Chapter R.7a: Endpoint specific guidance”,and MPBPWIN recommendations, the preferred VP method for solids is the Modified Grain method.
Therefore the vapour pressure resulting from the modified Grain method of 0.454 Pa at 25 °C is the selected VP value for2-methyl-p-phenylenediamine.The QSPR result is considered as valid.
Reference
Description of key information
Based on QSPR computations the vapour pressure of test item 2,5-toluene diamine is 0.454 Pa at a temperature of 25 °C.
Key value for chemical safety assessment
- Vapour pressure:
- 0.454 Pa
- at the temperature of:
- 25 °C
Additional information
Discussion of QSPR results
The purpose of this study is to determine the vapour pressure of test item 2-methyl-p-phenylenediamine via a non-experimental mechanism. Based on recommendation given by ECHA’s “Guidance on information requirements and chemical safety assessment - Chapter R.7a: Endpoint specific guidance”, the vapour pressure of 2-methyl-p-phenylenediamine has been computed via different appropriate QSPR methods. In this study QSPR computations were based on freely available software SPARC and MPBPVP (i.e.MPBPWIN, included in EPISUITE). The criteria for validity of the estimation methods used are fulfilled and the QSPR methods therefore reveal data of significant relevance.
The vapour pressure values computed via different appropriate QSPR methods form a rather uniform data set, pointing uniformly in the direction of test item2-methyl-p-phenylenediamine having a low vapour pressure within the range of 0.1 to 0.8. According to both ECHA’s “Guidance on information requirements and chemical safety assessment - Chapter R.7a: Endpoint specific guidance”,and MPBPWIN recommendations, the preferred VP method for solids is the Modified Grain method.
Therefore the vapour pressure resulting from the modified Grain method is the selected VP value for 2-methyl-p-phenylenediamine, i.e. 0.454 Pa at 25 °C.The QSPR result is considered as valid.
Waiving of further vapour studies
As additional vapour pressure testing cannot be expected to reveal new results with any added value concerning the risk assessment of this substance, additional studies on vapour pressure shall be waived (for details see "waiving on further studies on vapour pressure").
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.
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