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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 269-198-6 | CAS number: 68189-42-4
- 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
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
This read-across is based on the hypothesis that source substances and the target substance have similar partition coefficients because the source substances, Tris and 4NPP, are the only components of the target substance 4-NPP, di-TRIS. It is assumed that the partition coefficient of the target substance 4-NPP, di-TRIS is determined by its components, Tris and 4NPP.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURIT IES)
Source Substance 1
Trometamol, Tris
EC number: 201-064-4 | CAS number: 77-86-1
Source Substance 2
Disodium 4-nitrophenyl phosphate, 4NPP
EC number: 224-246-5 | CAS number: 4264-83-9
Target substance:
4-NPP, di -TRIS (4-nitrophenoxy)phosphonic acid; bis(2-amino-2-(hydroxymethyl)propane-1,3-diol)
EC number 269-198-6 | CAS number: 68189-42-4
3. ANALOGUE APPROACH JUSTIFICATION
The read-across hypothesis and justification establish the structural similarities and differences of the source and target substances. The similarities in their structures and properties serve as the foundation for this read-across and justify prediction of 4-NPP, di-TRIS's partition coefficient from Tris and 4NPP. The detailed justification for the analogue approach is added to section 13 of this dossier.
4. DATA MATRIX
The detailed data matrix for the analogue approach is added to section 13 of this dossier. - Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Type:
- log Pow
- Partition coefficient:
- < -2.16
- Temp.:
- 22 °C
- pH:
- 6.7
- Conclusions:
- For both components of the substance 4-NPP, di-Tris (CAS number 68189-42-4), 4NPP (CAS 4264-83-9) and Tris (CAS 77-86-1), there are reliable data available. In aqueous solutions, the substance 4-NPP, di-TRIS, which is an organic salt, will readily dissociate into the ions Tris and 4NPP. For both substances, Tris and 4NPP, the measured log Pow is -2.31 and <-2.16, respectively. Consequently, it can be assumed that also the substance 4-NPP, di-Tris (CAS number 68189-42-4) will have a log Pow of at least <-2.16.
- Executive summary:
For both components of the substance 4-NPP, di-Tris (CAS number 68189-42-4), 4NPP (CAS 4264-83-9) and Tris (CAS 77-86-1), there are reliable data available. In aqueous solutions, the substance 4-NPP, di-TRIS, which is an organic salt, will readily dissociate into the ions Tris and 4NPP. For both substances, Tris and 4NPP, the measured log Pow is -2.31 and <-2.16, respectively. Consequently, it can be assumed that also the substance 4-NPP, di-Tris (CAS number 68189-42-4) will have a log Pow of at least <-2.16.
Reference
Description of key information
No study with 4-NPP, di -TRIS (CAS 68189-42-4) is available to draw a conclusion on its partition coefficient.
Data from the analogues Tris (CAS 77-86-1) and 4-Nitrophenyl phosphate (4NPP, CAS 4264-83-9) was used on a read-across approach to fulfil this endpoint information requirement (See Read Across justification in Chapter 13).
For the components of the substance 4-NPP, di -TRIS (CAS 68189-42-4), 4-Nitrophenyl phosphate (4NPP, CAS 4264-83-9) and Tris (CAS 77-86-1), there are reliable data available.
The partition coefficient of Tris (trometamol, CAS no. 77-86-1) was assessed in a study according to TG OECD 107. The measured logPow is -2.31.
The log POW of 4-Nitrophenyl phosphate disodium salt (CAS no. 4264-83-9) was determined according to TG OECD 107. The determined log POW value at pH 6.7 is <-2.16 with a standard deviation of ± 0.001.
Consequently, it can be assumed that also the substance 4-NPP, di-Tris (CAS number 68189-42-4) will have a log Pow of at least <-2.16.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- -2.16
- at the temperature of:
- 22 °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.
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.