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EC number: 217-315-6 | CAS number: 1809-14-9
- 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
Basic toxicokinetics
Administrative data
- Endpoint:
- basic toxicokinetics, other
- Remarks:
- QSAR prediction
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- October, 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- The details regarding accuracy and applicability domain of the method are reported in the section "any other information on method"
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2017
Materials and methods
- Objective of study:
- absorption
- bioaccessibility (or bioavailability)
- distribution
- excretion
Test guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
Test material
- Reference substance name:
- Dioctyl phosphonate
- EC Number:
- 217-315-6
- EC Name:
- Dioctyl phosphonate
- Cas Number:
- 1809-14-9
- Molecular formula:
- C16H35O3P
- IUPAC Name:
- dioctyl phosphonate
Constituent 1
Results and discussion
Main ADME resultsopen allclose all
- Type:
- absorption
- Results:
- Estimated human intestine absorption: HIA =100 %
- Type:
- other: oral bioavailability
- Results:
- Oral bioavailability: estimated F% = 69.5 %
- Type:
- distribution
- Results:
- Estimated plasma protein binding PPB= 96.36 %
- Type:
- distribution
- Results:
- Predicted volume of distribution Vd = 33 l/kg.
- Type:
- excretion
- Results:
- Elimination rate constant : ke=0.0013 min-1
Any other information on results incl. tables
The reliability of all the predicted results is bordeline.
Applicant's summary and conclusion
- Conclusions:
- Passive absorption: estimated human intestine absorption: HIA =100 %
Oral bioavailability: estimated F% = 69.5 %
Distribution: estimated plasma protein binding PPB= 96.36 % and predicted volume of distribution Vd = 33 l/kg.
Excretion: estimated elimination rate constant : ke=0.0013 min-1 - Executive summary:
Absorption: based on predicted HUMAN INTESTINAL ABSORPTION: HIA =100 % Dioctyl phosphonate is expected to be well absorbed.
Oral bioavailability: based on predicted F% = 69.5 % the oral bioavailability of Dioctyl phosphonate is expected moderate. The target was predicted to have poor solubility in the gastro-intestinal tract (dose/solubility ratio > 10), to be chemically stable at acidic conditions membrane and to have good passive absorption across the human intestinal barrier. No active transport was predicted for the target and it was predicted as non-substrate for P-glycoprotein.
Distribution: based on the predicted PPB (plasma protein binding)= 96.36 % for Dioctyl phosphonate , a limited amount of the substance is expected freely circulating (fraction unbound in plasma = 0.036) and available for distribution in tissues. The predicted volume of distribution (Vd= 33 l/kg) is above the volume of total body water (0.7 l/kg) and this indicates that compound might have affinity to extravascular tissues, rather than being restricted to the circulation. However, the high plasma protein binding suggests that just a limited amount of the substance is available for distribution in tissues.
Excretion: the estimated elimination rate constant for Dioctyl phosphonate is ke=0.0013 min-1 so it can be expected that the substance is almost completely eliminated from blood within 48 hours.
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