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EC number: 947-367-1 | CAS number: -
- 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:
- other: Endpoint Expert Assessment
- Adequacy of study:
- key study
- Study period:
- March 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Software:
US EPA Estimation Program Interface (EPI) Suite version 4.11.
Identifiers:
Diammonium 1,1-methylenebis((phenylmethyl) naphthalene-2-sulphonate)
C35H26O6S2.(NH4)2
Mol weight of salt 642.79 gmol -1
(anion portion 606.71 gmol -1)
Benzyl methylene-bis-naphthalene-2-sulphonic acid ammonium salt
C28H21O3S.NH4
Mol weight of salt 455.58 gmol -1
(anion portion 437.54 gmol -1)
Isomers of Benzyl methylene-bis-naphthalene trisulphonic acid ammonium salt
C28H19O9S3.(NH4)3
Mol weight of salt 649.76 gmol -1
(anion portion 595.64 gmol -1)
Applicability domain:
The molecular weights of the substances were within the accepted molecular weight range (18.02–719.92 g mol -1) for reliable log P estimation although some constituents are toward the top end of this range. - Qualifier:
- no guideline required
- Principles of method if other than guideline:
- - Principle of test: Screening procedure used to examin the partition co-efficient n-octanol/water in terms of the chemical functionality present within the substance with the support of computational prediction models.
- Short description of test conditions: Using the US EPA Estimation Program Interface (EPI) Suite version 4.11, the partition coefficients of the constituents of the substance were estimated. The molecular weights of the substances were within the accepted molecular weight range (18.02–719.92 g mol-1, average 199.98 g mol-1) for reliable log P estimation.
- Parameters analysed / observed: Potential of Aryl sulphonate condensate to partition to octanol. - GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Key result
- Remarks on result:
- other: Quantitative result not determined as no test was performed
- Conclusions:
- According to the structural assessment and (Q)SAR modelling carried out on Aryl sulphonate condensate, the constituents are expected to display a range of log Kow values (3.34-6.31) depending on their structure. It is anticipated that they would be highly insoluble in water and would be more likely to partition into the n-octanol phase.
- Executive summary:
Aryl sulphonate condensate has been assessed in terms of partition co-efficient n-octanol/water. The assessment is based on an examination of the chemical functionality present within the substance with the support of computational prediction models.
The organic portions of the constituents of Aryl sulphonate condensate, as far as they are known, are constructed from methylene-linked naphthyl groups, some of which are substituted with benzyl functionality and/or sulfonic acid groups. The individual aromatic moieties are essentially planar and hydrophobic; however, the fact that they are linked via methylene bridges does interrupt the planarity somewhat. The sulfonic acid groups are present in ionised form in the salts and are highly polar; however, there are relatively few of them per molecule and, given the molecular weights involved, their ability to confer water solubility on the constituents is anticipated to be limited.
According to the structural assessment and (Q)SAR modelling carried out on Aryl sulphonate condensate, the constituents are predicted to have high log Kow values (>3) ranging from 3.34-6.31, indicating that they are highly insoluble in water and would partition into the n-octanol phase.
Reference
Description of key information
According to the structural assessment and (Q)SAR modelling carried out on Aryl sulphonate condensate, the constituents are expected to display a range of log Kow values (3.34-6.31) depending on their structure. It is anticipated that they would be highly insoluble in water and would be more likely to partition into the n-octanol phase.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.31
- at the temperature of:
- 25 °C
Additional information
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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