Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
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
Surface tension
Administrative data
Link to relevant study record(s)
- Endpoint:
- surface tension
- 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
- 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 surface tension 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 surface tension were predicted for the main constituent and the impurity (present at >0.1%) using SMILES codes as the input parameter.
- Type of method:
- other: Consensus metho
- Specific details on test material used for the study:
- Type of constituent Chemical name SMILES Conc. Range
Main constituent 2,4-xylenol Cc1ccc(O)c(C)c1 >=99 - <=100 %
Impurity 2,4,6-trimethylphenol Cc1cc(C)c(O)c(C)c1 >=0 - <1 % - Key result
- Surface tension:
- 35.87 mN/m
- Temp.:
- 25 °C
- Remarks on result:
- other: predicted value for the main constituent
- Remarks:
- surface active
- Key result
- Surface tension:
- 35.21 mN/m
- Temp.:
- 25 °C
- Remarks on result:
- other: predicted value for the impurity
- Remarks:
- surface active
- Conclusions:
- Using the consensus method the surface tension of the main constituent and the impurity were predicted to be 35.87 and 35.21 mN/m at 25°C respectively.
- Executive summary:
The surface tension 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 surface tension values of the main constituent as well as the impurity (present above 0.1%) were predicted using SMILES codes as the input parameter. Using the consensus method the surface tension of the main constituent and the impurity were predicted to be 35.87 and 35.21 mN/m at 25°C respectively (US EPA, 2021). This suggests surface activity for the test substance. The predictions were assessed to be not fully within the molecular and structural domains. However, considering the similarity between the experimental values for the three nearest structural analogues identified via the nearest neighbour model as well as the MAE criteria suggest thatthe overall predictions are accurate with moderate uncertainty. Therefore, the surface tension predictions for both the main constituent and the impurity of thetest substance using the T.E.S.T. model can be considered to be reliable with moderate confidence.
Reference
Description of key information
The surface tension for 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
Additional information
35.87 mN/m at 25°C
Using the consensus method the surface tension of the main constituent and the impurity were predicted to be 35.87 and 35.21 mN/m at 25°C respectively, suggesting surface activity for the test substance. Further, considering that the predictions for the main constituent and the impurity are in the same range, the value corresponding to 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.