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Diss Factsheets
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EC number: 201-814-0 | CAS number: 88-24-4
- 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
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable study report which meets basic scientific principles and basic data given.
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- not specified
- GLP compliance:
- no
- Type of method:
- flask method
- Water solubility:
- < 1 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: No information on pH but assumed to be 'neutral'
- Details on results:
- The collected supernatants were measured in the same fashion against the calibration curve generated by the standards. However, no peak for the CYANOX® 425 was detected in either of the collected surpernatants. The concentration of CYANOX® 425 in all the samples is below GC/MS detection limit, 1ppm.
- Conclusions:
- The water solubility was determined to be < 1 mg/L (< 1 ppm)
- Executive summary:
The water solubility of 6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol was determined by using the shake flask method of OECD Guideline 105. The water solubility at 25°C was < 1 mg/L, the lower limit of quantification of the analytical method (GC/MS).
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- January 12 to March 12, 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Study part of GLP compliant bioaccumulation study. Basic data given but no detailed test protocol available.
- Reason / purpose for cross-reference:
- reference to same study
- Guideline:
- other: Not specified
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- column elution method
- Water solubility:
- 0.736 µg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: No information on pH but assumed to be 'neutral'
- Conclusions:
- The water solubility was determined to be 0.736 µg/L
- Executive summary:
The water solubility of 6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol was determined by using the column elution method. The water solubility at 25°C was 0.736 µg/L.
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: This is an accepted calculation method supported by a limited amount of additional validation.
- Justification for type of information:
- QSAR estimation by WSKOWWIN program, U.S EPA/Syracuse Research, v1.42 (see attached QMRF and QPRF).
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR estimation by WSKOWWIN program, U.S EPA/Syracuse Research, v1.42 (see attached QMRF and QPRF).
- GLP compliance:
- no
- Type of method:
- other: QSAR estimation by WSKOWWIN v1.42, EPI Suite v4.1 (see attached QMRF and QPRF).
- Water solubility:
- 0 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: No information on pH but assumed to be 'neutral'
- Conclusions:
- A water solubility value of 0.00036 mg/L was predicted for the substance using a relevant estimation method.
- Executive summary:
Using EPISuite V4.1 (WSKOWWIN V1.42), the water solubilty of 6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol was estimated to be 0.00036 mg/L. The measured melting point value of 125°C was used for the predictions.
Referenceopen allclose all
Description of key information
The available studies on water solubility show that the water solubility of 6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol is below 1 µg/L.
Key value for chemical safety assessment
Additional information
In accordance with section 1.2 of REACH Annex XI, the available information on water solubility of 6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol was assessed in a "Weight-of-Evidence" approach.
The water solubility determined by GC/MS using the flask method is well below 1 mg/L, the lower limit of quantification of the analytical method (Stamford, 2017). A water solubility of 0.736 µg/L at 25°C was found by using the column elution method (Kurume, 2012). The water solubility was predicted to be 0.36 µg/L by using the QSAR model WSKOWWIN v1.42.
Based on this information it can be concluded that the water solublity of 6,6'-di-tert-butyl-4,4'-diethyl-2,2'-methylenediphenol is < 1 µg/L.
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