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Diss Factsheets
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EC number: 939-505-4 | CAS number: -
- 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:
- 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Qualifier:
- according to guideline
- Guideline:
- other: TSCA Title 40 of the Federal Code of Regulations, Part 796, Section 1570: Partition coefficient (n-octanol/water)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Exception: The characterization and stability of the test and reference substances under storage conditions at the test site were not determined in accordance with GLP Standards
- Type of method:
- HPLC method
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- The substance name 3.5 G FF is one of the commenrcial names for p-t-butylphenyldiphenyl phosphate and bis(p-t-butylphenyl) phenyl phosphate
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 3.85
- Remarks on result:
- other: Peak 1 (TPP or triphenyl phosphate)
- Key result
- Type:
- log Pow
- Partition coefficient:
- 5.61
- Remarks on result:
- other: Peak 2 ("C4" or t-butylphenyldiphenyl phosphate)
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Remarks on result:
- other: Peak 3 ("C8" or di-t-butylphenylphenyl phosphate)
- Type:
- log Pow
- Partition coefficient:
- > 6.5
- Remarks on result:
- other: Peak 4 ("C12" or tri-t-butylphenyl phosphate)
- Conclusions:
- Under the chromatographic conditions specified, 3.5 G FF eluted as four discrete peaks, ranging in mean log Pow of 3.86 to > 6.5. The mean log Pow for the largest peak, according to percent area, in 3.5 G FF was 5.61 0.002 log units (N=3, RSD = 0.039%).
- Executive summary:
Injections of a reagent blank solution (75% ACN: 25% H2O (v/v)) showed that the reagents used
for preparation of the combined calibration reference standard solutions and 3.5 G FF solutions were free of any potentially interfering contaminants.
Two reference standard solutions comprised of a total of eight reference substances were
prepared and injected in at least triplicate (once near the beginning, one after every four injections and
once near the end of the HPLC sequence). The retention times for one of the reference substances in one
of the standard solutions, thiourea, were used to determine the analytical column dead time (t0) for use in
calculating capacity factors (k) of the remaining reference substances and the test substance. The mean
retention time of thiourea was 1.663 minutes on the UV detector. Seven additional reference substances
contained in the two reference standard solutions were analyzed. The capacity factors of all the reference
substances were calculated based upon their retention times.
The three 100-mg/L 3.5 G FF solutions were sequentially injected. 3.5 G FF eluted as four peaks
on the UV detector. The mean retention time of each peak was 4.277, 9.242, 22.798 and 25.260 minutes,
respectively. Based on the test substance composition stated earlier and the mean percent area of 2.23%,
80.7%, 16.1%, and 0.974% for each peak, the four peaks are most likely TPP, C4, C8, and C12,
respectively. Immediately following the injections of the 100-mg/L test substance solutions, a 500-mg/L
test substance solution was injected to confirm which peaks were from the test substance. Since the third
and fourth peaks of the test substance had to be driven off the column by way of a stronger mobile phase
than used for the elution of the reference substances, the log POW for the third and fourth peaks of the test
substance was reported as greater than the highest POW reference substance, DDT (log POW = 6.5). The
capacity factors (k) of each test substance peak were then calculated based on the corresponding retention
time. The corresponding mean log POW for each 3.5 G FF peak was calculated as 3.85, 5.61, > 6.5, and
> 6.5, respectively. A log POW value within 0.45 log units (3.4) for TPP was reported in another study
using the HPLC-estimation method. The OECD Guideline states that the reproducibility of
HPLC-estimation methods should be within ± 0.5 log units.
Reference
Description of key information
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 5.61
- at the temperature of:
- 20 °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.
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