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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 203-321-6 | CAS number: 105-67-9
- 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
![](https://chesar.echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_physical-and-chemical-properties.png)
Density
Administrative data
Link to relevant study record(s)
- Endpoint:
- relative density
- 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, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- QSAR prediction from a well-known and acknowledged tool. See below under ''attached justification section' for QPRF containing methodology and domain evaluation details.
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
- Principles of method if other than guideline:
- The relative density value for the test substance were estimated by consensus method of the T.E.S.T. (Toxicity Estimation Software Tool) version 5.1.1. The relative density values were predicted for the main constituent and the impurity (present at >0.1%) using SMILES codes as the input parameter.
- Key result
- Type:
- relative density
- Density:
- 1.01 g/cm³
- Remarks on result:
- other: predicted value for the main constituent
- Remarks:
- indicates density value is close or or only slightly heavier than water
- Density:
- 1.01 g/cm³
- Remarks on result:
- other: predicted value for the impurity
- Remarks:
- indicates density value is close or or only slightly heavier than water
- Conclusions:
- Using the consensus method of the T.E.S.T. (Toxicity Estimation Software Tool) version 5.1.1., the relative density values of the main constituent and the impurity were predicted to be 1.01 and 1.02 g/cm3, respectively.
- Executive summary:
The relative density value for the test substance was predicted using the consensus method of the T.E.S.T. (Toxicity Estimation Software Tool) version 5.1.1. The relative density values were predicted for the the main constituent as well as the impurity (present above 0.1%) using SMILES codes as the input parameter. Using the consensus method the relative density values of the main constituent and the impurity were predicted to be 1.01 and 1.02 g/cm3, respectively (US EPA, 2021). This suggests that the density of both molecules is close or or only slightly heavier than water. The predictions were assessed to be within the molecular and structural domains.Further, considering the similarity between predicted and the experimental values for the three nearest structural analogues identified via the nearest neighbour model as well as the MAE criteria suggests thatthe overall predictions are accurate with low to moderate uncertainty.
- Endpoint:
- density, other
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Remarks:
- data from CRC handbook
- Principles of method if other than guideline:
- Density value from CRC handbook
- Key result
- Type:
- density
- Density:
- ca. 0.965 g/cm³
- Temp.:
- 20 °C
- Remarks on result:
- other: data reported from CRC handbook
- Conclusions:
- The melting point of the test substance was reported to be 0.965 g/cm3.
- Executive summary:
The melting point of the test substance was reported to be 0.965 g/cm3 in the CRC handbook (Haynes (CRC handbook, 2017).
- Endpoint:
- density, other
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 1960
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- secondary literature
- Principles of method if other than guideline:
- Density value from literature
- Type of method:
- pycnometer method
- Remarks:
- pycnometer method Sprengel-Ostwald pycnometer
- Key result
- Type:
- density
- Density:
- 1.02 g/cm³
- Temp.:
- 20 °C
- Key result
- Type:
- density
- Density:
- 1.012 g/cm³
- Temp.:
- 30 °C
- Conclusions:
- The density of the test substance was determined to be 1.02017 g/cm³ at 20° C.
- Executive summary:
The density of the test substance was determined to be 1.02017 and 1.01186 g/cm³ at 20 and 30° C (Andon, 1960).
Referenceopen allclose all
Table 1: Relative density predictions using the Consensus method
Constituents |
Mean/adjusted conc. |
density value (g/cm3) |
2,4-xylenol |
99.50 % |
1.02 |
2,4,6-trimethylphenol |
0.50 % |
1.01 |
Refer to the QPRF and the study details attachments for details
Observed densities at 20° and 30° of 2,4-xylenol, and calculated densities and coefficients of cubical expansion at 25°.
Test substance |
d20(g./mL.) |
d30(g./mL.) |
d25(g./mL.) |
α25 |
2,4-xylenol |
1.02017 |
1.01186 |
1.01601 |
0.000818 |
Description of key information
The relative density of the test substance was predicted using the consensus method of the T.E.S.T. (Toxicity Estimation Software Tool) version 5.1.1 (US EPA, 2021).
Key value for chemical safety assessment
- Relative density at 20C:
- 1.02
Additional information
Using the consensus method the relative density values of the main constituent and the impurity were predicted to be 1.01 and 1.02 g/cm3, respectively (US EPA, 2021). Further, the density value of the test substance was also reported in literature and handbooks to range from 0.965 to 1.02 to g/cm3 at 20° C (Haynes (CRC handbook), 2017; Andon, 1960). These values indicate the densitiy of the test substance to be close or slightly higher than that of water.
Overall, considering that the values for the main constituent and the impurity are in the same range, the higher relative density value of the main constituent has been considered further for hazard/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.
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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