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Diss Factsheets
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EC number: 203-604-4 | CAS number: 108-67-8
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP status and guideline unknown; Information from published handbook, data compendium, review article or other reference text; acceptable with restrictions.
- Principles of method if other than guideline:
- The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The Canadian National Committee for CODATA database contains evaluated log Kow values and is cited in the ECHA R7a guidance document (2012). Therefore although the guideline followed is not known, the values presented here are acceptable as they are from a reliable secondary source of phys chem. data.
- GLP compliance:
- not specified
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.42
- Remarks on result:
- other: No further details provided such as temp and pH
- Conclusions:
- Log Kow of mesitylene (1,3,5-trimethylbenzene) was measured to be 3.42; the source states this is the preferred value.
- Executive summary:
This information is taken from a reliable peer reviewed database and so can be considered reliable and suitable for use for this endpoint.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP status and guideline unknown; Information from published handbook, data compendium, review article or other reference text; acceptable with restrictions.
- Principles of method if other than guideline:
- The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The introduction to the CRC Handbook of Chemistry and Physics states that data for physical constants have been taken from many sources, including both compilations and the primary literature. Where conflicts were found, the value deemed most reliable was chosen. Therefore, although the method used is not known, the values presented here are acceptable as they are from a reliable secondary source of phys chem. data.
- GLP compliance:
- not specified
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.42
- Remarks on result:
- other: No further details provided such as temperature and pH.
- Conclusions:
- Log Kow of mesitylene (1,3 ,5-trimethylbenzene) was measured to be 3.42.
- Executive summary:
No information on the methods used is available. However, this information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use for this endpoint. Log Kow of mesitylene (1,3,5-trimethylbenzene) was measured to be 3.42.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP status and guideline unknown; Information from published handbook, data compendium, review article or other reference text; acceptable with restrictions.
- Principles of method if other than guideline:
- The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The Canadian National Committee for CODATA database contains evaluated log Kow values and is cited in the ECHA R7a guidance document (2012). Therefore although the guideline followed is not known, the values presented here are acceptable as they are from a reliable secondary source of phys chem. data.
- GLP compliance:
- not specified
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.84
- Remarks on result:
- other: No further details provided such as temperature and pH.
- Conclusions:
- Log Kow of mesitylene (1,3,5-trimethylbenzene) was measured to be 3.84.
- Executive summary:
This information is taken from a reliable peer reviewed database and so can be considered reliable and suitable for use for this endpoint.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP status and guideline unknown; Information from published handbook, data compendium, review article or other reference text; acceptable with restrictions.
- Principles of method if other than guideline:
- ECHA R7a (2008) states that “Ample of scientific publications and QSAR development studies report measured log Kow values for a variety of chemicals that have been used in the training- or validation sets”. Hansch et al (1995) is used to provide measured log Kow values for the training data set in the EPIWEB KOWWIN QSAR for this substance . As this QSAR programme is widely accepted by Regulators, we believe the use of this data in the training set confirms its reliability.
- GLP compliance:
- not specified
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.42
- Remarks on result:
- other: No further details provided such as temperature and pH.
- Conclusions:
- Log Kow of mesitylene (1,3,5-trimethylbenzene) was measured to be 3.42.
- Executive summary:
This information is taken from the training set of a a reliable QSAR for calculating log Kow and so can be considered reliable and suitable for use for this endpoint. The Log Kow of mesitylene (1,3,5-trimethylbenzene) was reported to be 3.42.
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: GLP status and guideline unknown; Information from published handbook, data compendium, review article or other reference text; acceptable with restrictions.
- Principles of method if other than guideline:
- The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative value for the property under investigation. The introduction to Exploring QSAR, Hydrophobic, Electronic and Steric Constants states that it is an extensive compilation of published data. Each record is evaluated and the preferred value is identified for each substance. Therefore, although the method used is not known, the values presented here are acceptable as they are from a reliable secondary source of phys chem. data.
- GLP compliance:
- not specified
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- 3.42
- Remarks on result:
- other: No further details provided such as temperature and pH.
- Conclusions:
- Log Kow of mesitylene (1,3,5-trimethylbenzene) was measured to be 3.42; the source states this is the preferred value.
- Executive summary:
This information is taken from a reliable peer reviewed handbook and so can be considered reliable and suitable for use for this endpoint. The Log Kow of mesitylene (1,3,5-trimethylbenzene) was measured to be 3.42; the source states this is the preferred value.
Referenceopen allclose all
No further details provided such as temperature and pH.
No further details provided such as temperature and pH.
No further details provided such as temperature and pH.
Preferred value as/or converted to the neutral form. No further details provided such as temperature and pH.
Preferred value as/or converted to the neutral form. No further details provided such as temperature and pH.
Description of key information
The Log Kow of mesitylene (1,3,5-trimethylbenzene) was measured to be 3.42.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.42
- at the temperature of:
- 20 °C
Additional information
Partition coefficient values for this substance are cited in a number of reliable, peer-reviewed secondary data sources. A weight of evidence approach has been used to fill this endpoint based on the data from these secondary sources. A log Kow value of 3.42 is cited in Hansch (1995), Lide (2008) and has been selected as the recommended value in the CODATA database (Pomona College, 1987, cited in CODATA database). This same value taken from Hansch (1995) is also used in the training data set of the USEPA KOWWIN QSAR (USEPA 2008). As this QSAR is widely accepted by Regulators, we believe this demonstrates that the data used to develop the model should also be considered reliable. It is likely that these four data sources are all citing the same original study, and are therefore not independent of each other. However, as each of the four is considered to be an authoritative data source we believe that the use of this data point is justifiable to fulfil this data requirement. A log Kow value of 3.84 is also included in the CODATA database (Hammers et al 1982, cited in CODATA database).
The reported log Kow values of 3.42 and 3.84 are similar to each other, and do not span any criteria used to define the appropriate classification of the substance or its bioaccumulation potential. As the log Kow value of 3.42 is identified as the recommended value in the CODATA database this is taken forward as the key value 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.
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