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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 278-188-0 | CAS number: 75314-26-0
- 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:
- key study
- Study period:
- 15 - 16 September 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- 2004
- Deviations:
- yes
- Remarks:
- see field principle of method if other than guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- Version / remarks:
- Regulation (EC) No 440/2008
- Deviations:
- yes
- Remarks:
- see field principle of method if other than guideline
- Principles of method if other than guideline:
- According to TG OECD 117, log Pow values between 0 and 6 can be determined. As the test item is a complex mixture, a broad range of log Pow values has been found and some of the test item components are out of the range of 0 to 6. In accordance with the sponsor, the log Pow values for these test item components were extrapolated based on the data obtained in this study.
According to TG OECD 117, upper and lower limits of log Pow, and the area% of each log Pow peak should be reported for mixtures, which result in an unresolved band. For the test item in this study, only upper and lower limits of log Pow are given, because single log Pow peaks can hardly be assigned in this complex mixture. - GLP compliance:
- yes (incl. QA statement)
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. -1.08 - <= 2.35
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: log Pow range: <= -1.08 to 2.35; mean of two determinations
- Details on results:
- HPLC method:
The dead time was determined to be 1.45 min.
Two determinations of the log POW value of the test item were conducted using a phosphate buffered system at pH 7.0 by injecting a mixed solution of all reference items as well as the single test item solution twice.
The test item “Benzene, 1,1’-oxybis(methyl-, sulfonated, ammonium salt (ca 50% )” is a complex mixture of monomer until pentamer, which present one or two sulfo groups and each type of substance presents several isomer forms. Therefore, the log Pow is given as a range, which is based on the evaluation of the first and the last test item peak found in the corresponding chromatogram.
The log Pow value for the first test item peak with the shortest retention time was extrapolated. As its retention time was slightly shorter than the one for Thiourea, which was used as dead time marker, an extrapolation based on the regression data obtained by the injection of reference items was not possible. Instead, its log Pow can be given as less than or equal to the one of Thiourea corresponding to <= -1.08 (exper. database match; Govers H. et al., (1986); EPI Suite v4.11).
The log Pow value for the last test item peak with the latest retention time was determined to be 2.35 (95% confidence limits: 2.25–2.45) in the first as well as the second determination.
Consequently, the log Pow range for the test item “Benzene, 1,1’-oxybis(methyl-, sulfonated, ammonium salt (ca 50% )” (CAS no. of main component 75314-26-0), calculated as the mean of both determinations, is <= -1.08 to 2.35 (95% confidence limits for upper value: 2.25–2.45) at pH 7.0. - Conclusions:
- The HPLC method was applied for the determination of the log Pow of Benzene, 1,1’-oxybis(methyl-, sulfonated, ammonium salt (ca 50% ) (CAS no. of main component 75314-26-0).
The calculated log Pow range of the test item is <=1.08 to 2.35 (95% confidence limits for upper value: 2.25-2.45) at a pH of 7.0. - Executive summary:
The log Pow of the test item „Benzene, 1,1’-oxybis(methyl-, sulfonated, ammonium salt (ca 50% )” (CAS no. of main component 75314-26-0) was determined according to TG OECD 117. This determination is based upon a regression analysis of the log Pow values of reference items against their respective retention times as determined by HPLC analysis. As the test item is a complex mixture, the log Pow is given as a range, which is based on the evaluation of the first and the last test item peak found in the corresponding chromatogram.
The following reference items were used: Caffeine, 4-Acetylpyridine, Aniline, Acetophenone, Nitrobenzene, Anisole and Chlorobenzene. The dead time of the HPLC system was determined with Thiourea.
This set of reference items yielded a calibration with log Pow values ranging from -0.07 to 2.8 and retention times ranging from 2.19 min to 75.6 min. The dead time of the HPLC system was 1.45 min.
Two determinations of the log Pow value of the test item were conducted using a phosphate buffered system at pH 7.0 by injecting a mixed solution of all reference items as well as the single test item solution twice.
The log Pow value for the first test item peak with the shortest retention time was extrapolated. As its retention time was slightly shorter than the one for Thiourea, which was used as dead time marker, an extrapolation based on the regression data obtained by the injection of reference items was not possible. Instead, its log Pow can be given as less than or equal to the one of Thiourea corresponding to <= -1.08 (exper. database match; Govers H. et al., (1986); EPI Suite v4.11).
The log Pow value for the last test item peak with the latest retention time was determined to be 2.35 (95% confidence limits: 2.25–2.45) in the first as well as the second determination.
Consequently, the log Pow range for the test item “Benzene, 1,1’-oxybis(methyl-, sulfonated, ammonium salt (ca 50% )”, calculated as the mean of both determinations, is <= -1.08 to 2.35 (95% confidence limits for upper value: 2.25–2.45) at pH 7.0.
Reference
Test item component with maximal logPow:
Regression for the determination of the log Pow value of the test item with the first injection
Plot log Pow vs log k:
coefficient of regression (r2) | 0.996 |
intercept | 0.397 |
slope | 1.38 |
log Pow | 2.35 |
95% confidence interval for log Pow | 2.25 -2.45 |
Regression for the determination of the test item with the second injection
Plot log POW vs log k:
coefficient of regression (r2) | 0.996 |
intercept | 0.398 |
slope | 1.38 |
log POW | 2.35 |
95% confidence interval for log POW | 2.25 -2.45 |
Description of key information
The log POW of the test item Benzene, 1,1’-oxybis(methyl-, sulfonated, ammonium salt (ca 50% ) (CAS no. of main component 75314-26-0) was determined according to TG OECD 117. This determination is based upon a regression analysis of the log POW values of reference items against their respective retention times as determined by HPLC analysis. As the test item is a complex mixture, the log POW is given as a range, which is based on the evaluation of the first and the last test item peak found in the corresponding chromatogram.
Two determinations of the log POW value of the test item were conducted using a phosphate buffered system at pH 7.0 by injecting a mixed solution of all reference items as well as the single test item solution twice.
The log POW range for the test item Benzene, 1,1’-oxybis(methyl-, sulfonated, ammonium salt (ca 50% ), calculated as the mean of both determinations, is =-1.08 to 2.35 (95% confidence limits for upper value: 2.25–2.45) at pH 7.0.
Key value for chemical safety assessment
Additional information
log Pow range -1.08 to 2.35 at pH 7.0
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.