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EC number: 297-701-9 | CAS number: 93686-48-7
- 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:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: See remark
- Remarks:
- Estimates of the adsorption coefficients were calculated using the predictive model KOCWIN, version 2.00 (September 2010) © 2000 - 2008, U.S. Environmental Protection Agency. The model uses a "fragment constant" methodology to predict log P, which is known as the Atom/Fragment Contribution (AFC) method and a series of statistically derived fragment correction factors.
- Justification for type of information:
- Because of the surfactant properties of the substance, determination of the partition coefficient was not possible using the HPLC method, Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 17 April 2004. Estimates of the partition coefficients were calculated using the predictive model, KOWWIN, version 1.68 (September 2010) © 2000 - 2008, U.S. Environmental Protection Agency.
- Qualifier:
- according to guideline
- Guideline:
- other: ECHA Guidance Chapter R.6: QSARs and grouping of chemicals
- Principles of method if other than guideline:
- Because of the surfactant properties of the substance, determination of the partition coefficient was not possible using the HPLC method, Method A.8 Partition Coefficient of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 117 of the OECD Guidelines for Testing of Chemicals, 17 April 2004. Estimates of the partition coefficients were calculated using the predictive model, KOWWIN, version 1.68 (September 2010) © 2000 - 2008, U.S. Environmental Protection Agency.
- GLP compliance:
- no
- Type of method:
- other: Estimates of the partition coefficients using the predictive model KOWWIN.
- Partition coefficient type:
- octanol-water
- Analytical method:
- other: not relevant. Calculation made with model KOWWIN v1.68
- Type:
- log Pow
- Partition coefficient:
- ca. 15.48
- Remarks on result:
- other: Estimation made with KOWWIN v1.68
- Type:
- log Pow
- Partition coefficient:
- ca. 18.42
- Remarks on result:
- other: Estimation made with KOWWIN v1.68
- Details on results:
- The estimated partition coefficient values ranged from log Kow 15.48 to 18.42 for phosphorous acid, tri-C12 alkyl ester and phosphorous acid, tri-C14 alkyl ester, respectively. However, these values are out of the applicability domain of the model (log Kow between ca. -5 and 10) and should be considered with caution.
- Conclusions:
- The estimated partition coefficient values ranged from log Kow 15.48 to 18.42 for phosphorous acid, tri-C12 alkyl ester and phosphorous acid, tri-C14 alkyl ester, respectively. All fragments are covered in the training dataset and validation dataset of the model. However, the estimated partition coefficients are out of the applicability domain of the model (log Kow between ca. -5 and 8) and should be considered with caution.
Nevertheless, such high partition coefficients (log Kow > 10) indicate a reduced potential for bioaccumulation. - Executive summary:
The test item, which is made of different phosphorous acid alkyl esters, has a surface tension below 60 mN/m indicating surfactant properties. The HPLC method is not suitable for tensio-active substances or organic acids. Therefore, estimates of the partition coefficients were calculated using the predictive model KOWWIN version 1.68 (September 2010) © 2000 - 2008, U.S. Environmental Protection Agency, for the C12 and C14 esters. The estimated partition coefficient values ranged from log Kow 15.48 to 18.42 for phosphorous acid, tri-C12 alkyl ester and phosphorous acid, tri-C14 ester, respectively. These estimated partition coefficients are out of the applicability domain of the model (log Kow between ca. -5 and 8) and should be considered with caution.
Reference
Description of key information
The estimated partition coefficient values ranged from log Kow 15.48 to 18.42 for phosphorous acid, tri-C12 alkyl ester and phosphorous acid, tri-C14 ester, respectively. These estimated partition coefficients are out of the applicability domain of the model (log Kow between ca. -5 and 8) and should be considered with caution.
Key value for chemical safety assessment
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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