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EC number: 291-907-2 | CAS number: 90506-45-9
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- The bioconcentration factor (BCF) was calculated by the EPI (Estimation Programs Interface) Suite™, a Windows®-based suite of physical/chemical property and environmental fate estimation programs developed by the EPA’s Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC).The included program BCFBAF estimates the BCF of an organic compound using the compound's log Kow. Substances are classified either as ionic or non-ionic and are divided into 3 classes of log Kow ranges:log Kow <1log Kow 1 - 7log Kow > 7For each range a best-fit regression was performed using a training dataset. The BCF of substances with log Kow can be described as:log BCF = 0.6598 log Kow + Σ correction factorsThe correction factors are based on specific structural features.In addition the bioconcentration factor BCF and the bioaccumulation factor BAF are estimated using the Arnot-Gobas estimation methology. The model consists of the development of a bioaccumulation model, the parameterisation of the model to reflect Canadian conditions and the calibration of the model to a large BCF and BAF database.The model gives a prediction for non-ionic organic chemicals in three general trophic fish levels (lower, middle, upper) in temperate environments and includes mechanistic processes for bioconcentration and bioaccumulation (e.g uptake/elimination at the gill surface, fecal egestion). The model requires the log Kow and the biotransformation rate constant (k,mn/day) as input parameters.The BAF calculations are derived from large datasets of measured BCF's (Great Lakes).The model is calibrated to each trophic level of measured BAF values thus providing estimates that are in general agreement with measured BAFs, thus capturing the overall food web biomagnification potential of chemicals in aquatic food webs for screening assessments.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- - Software tool(s) used including version:
EPI Suite
- Model(s) used: BCFBAF - GLP compliance:
- no
- Radiolabelling:
- not specified
- Route of exposure:
- other: not applicable
- Remarks:
- not applicable
- Hardness:
- not applicable
- Test temperature:
- not applicable
- pH:
- not applicable
- Dissolved oxygen:
- not applicable
- TOC:
- not applicable
- Salinity:
- not applicable
- Conductivity:
- not applicable
- Details on test conditions:
- not applicable
- Nominal and measured concentrations:
- not applicable
- Type:
- BCF
- Value:
- 375.5 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- steady state
- Remarks on result:
- other:
- Remarks:
- calculation
- Type:
- BCF
- Value:
- 107.1 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- steady state
- Remarks on result:
- other:
- Remarks:
- calculation
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The following bioaccumulation factors (BCF) have been predicted based on the percentage share of the individual constituents identified in Section 1.2 of the registered substance for Phosphoric acid, C16-18 alkyl esters, potassium salts (EC# 291-907-2; CAS# 90506-45-9) using the Estimation Programs Interface (EPI) suite™ developed by the US Environmental Protection Agency's Office of Pollution Prevention and Toxics and Syracuse Research Corporation (SRC)BCFBAF v3.01:
Regression-based method: 375.5 L/kg wet-wt
Arnot-Gobas method : 107.1 L/kg wet-wt
Reference
ROPO3K2
[O-]P([O-])(=O)OCCCCCCCCCCCCCCCC
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 2.682 (BCF = 481 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.3228 days (HL = 2.103 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.650 (BCF = 446.5)
Log BAF Arnot-Gobas method (upper trophic) = 2.932 (BAF = 854.5)
log Kow used: 6.65 (estimated)
ROPO3K2
[O-]P([O-])(=O)OCCCCCCCCCCCCCCCCCC
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 3.216 (BCF = 1646 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.6011 days (HL = 3.991 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.210 (BCF = 162.2)
Log BAF Arnot-Gobas method (upper trophic) = 3.431 (BAF = 2700)
log Kow used: 7.63 (estimated)
C16 di
(RO)2PO2K
[O-]P(=O)(OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.6706 days (HL = 468.4 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.047 (BCF = 0.8967)
Log BAF Arnot-Gobas method (upper trophic) = 1.219 (BAF = 16.56)
log Kow used: 14.08 (estimated)
(RO)2PO2K
[O-]P(=O)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 3.2272 days (HL = 1687 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8931)
Log BAF Arnot-Gobas method (upper trophic) = 0.076 (BAF = 1.191)
log Kow used: 16.04 (estimated)
(ROPO2K)2O
O=P([O-])(CCCCCCCCCCCCCCCC)OP(=O)([O-])CCCCCCCCCCCCCCCC
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.116 (BCF = 13.06 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.2597 days (HL = 181.9 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.040 (BCF = 0.9115)
Log BAF Arnot-Gobas method (upper trophic) = 1.776 (BAF = 59.77)
log Kow used: 13.14 (estimated)
(ROPO2K)2O
O=P([O-])(CCCCCCCCCCCCCCCCCC)OP([O-])(=O)CCCCCCCCCCCCCCCCCC
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 2.8163 days (HL = 655.2 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8934)
Log BAF Arnot-Gobas method (upper trophic) = 0.429 (BAF = 2.687)
log Kow used: 15.10 (estimated)
Description of key information
The following bioaccumulation factors (BCF) have been predicted based on the percentage share of the individual constituents identified in Section 1.2 of the registered substance for Phosphoric acid, C16-18 alkyl esters, potassium salts (EC# 291-907-2; CAS# 90506-45-9) using the Estimation Programs Interface (EPI) suite™ developed by the US Environmental Protection Agency's Office of Pollution Prevention and Toxics and Syracuse Research Corporation (SRC)BCFBAF v3.01:
Regression-based method: 375.5 L/kg wet-wt
Arnot-Gobas method : 107.1 L/kg wet-wt
Key value for chemical safety assessment
- BCF (aquatic species):
- 375.5 L/kg ww
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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