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EC number: 241-698-9 | CAS number: 17696-62-7
- 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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: ready biodegradability
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2018-05-25
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Ready Biodegradability model (IRFMN) (version 1.0.9)
QSAR classification model for Ready Biodegradability based on fragments built by SarPy software.
Developed by Politecnico di Milano, Italy and Istituto di Ricerche Farmacologiche Mario Negri, Italy. - Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- readily biodegradable
- Conclusions:
- Phenyl 4-hydroxybenzoate is estimated to be readily biodegradable by VEGA QSAR model.
- Executive summary:
Prediction is Possible Readily Biodegradable, but the result may be not reliable. A check of the information given in the following section should be done, paying particular attention to the following issues:
- accuracy of prediction for similar molecules found in the training set is not optimal
- similar molecules found in the training set have experimental values that disagree with the predicted value
The following relevant fragments have been found: Possible RB alert no. 11 (benzoic acid); Possible RB alert no. 19 (anisole).
- Endpoint:
- biodegradation in water: screening test, other
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- test procedure in accordance with national standard methods with acceptable restrictions
- Remarks:
- Data is from peer reviewed scientific paper
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 A (Ready Biodegradability: DOC Die Away Test)
- Deviations:
- not specified
- GLP compliance:
- no
- Specific details on test material used for the study:
- TEST MATERIAL
- Name: benzyl 4-hydroxybenzoate
- CAS: 94-18-8
- EC: 202-311-9
- Test material form: Solid
- Purity: > 98 % - Oxygen conditions:
- aerobic
- Inoculum or test system:
- natural water: freshwater
- Details on inoculum:
- - Source of inoculum/activated sludge (e.g. location, sampling depth, contamination history, procedure): Tamiya river
- Water filtered: yes
- Type and size of filter used, if any: Filter through 3 µm pore size membrane filters. - Duration of test (contact time):
- 15 h
- Initial conc.:
- 100 µg/L
- Parameter followed for biodegradation estimation:
- other: Half life of chemical
- Details on study design:
- TEST CONDITIONS
- Test temperature: 20°C
- Other: BOD of river water: 3.4 mg/L
TOC of river water: 2.4 mg/L
TEST SYSTEM
- Culturing apparatus: Flask
SAMPLING
- Sampling frequency: 1 time
CONTROL AND BLANK SYSTEM
- Inoculum blank: Milli Q water used as blank - Reference substance:
- not specified
- Parameter:
- % degradation (DOC removal)
- Value:
- 50
- Sampling time:
- 10 h
- Remarks on result:
- other: River water sampled in OCtober 2006
- Parameter:
- % degradation (DOC removal)
- Value:
- 50
- Sampling time:
- 14 h
- Remarks on result:
- other: River water sampled in September 2007
- Parameter:
- % degradation (DOC removal)
- Value:
- 50
- Sampling time:
- 19 h
- Remarks on result:
- other: river water sampled in November 2007
- Key result
- Parameter:
- % degradation (DOC removal)
- Value:
- 50
- Sampling time:
- 14.5 h
- Remarks on result:
- other: Mean of th three sampling times
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- other: Moderately persistence
- Conclusions:
- Benzylparaben (CAS # 94-18-8) was having half lifes of 10 to 19 hrs which indicate that the substance is moderately persistence in water.
- Executive summary:
The biodegradation of benzylparaben was tested in Tamiya river water. The test was conducted based on the OECD guideline 301A. The initial concentration of benzylparaben was 100 µg/L and the solution was placed in a flask at 20 °C. After experimenting it was found that the benzylparaben ( CAS # 94-18-8) was degraded to 50 % after 10 to 19 hrs which indicates that it is moderately persistence in water. Regarding the criteria for ready biodegradability (≥ 70 % DOC removal in 28 days) it can not be concluded from the paper if the substance fullfills this criterion, because in derivation from the guideline 100 µg a.i./L were used instead of 10 to 40 mg DOC/L. Also no information on control groups are reported.
- Endpoint:
- biodegradation in water: screening test, other
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- The source compound Benzyl 4-hydroxybenzoate (EC 202-311-9, CAS 94-18-8) is considered a suitable read across partner for the target substance Phenyl 4-hydroxybenzoate (EC 241-698-9, CAS 17696-62-7). This read-across is based on the hypothesis that source and target substances have similar toxicological properties because:
- structural similarity of the target and the source substances (the presence or absence of additional functional groups or substituents that could influence the behaviour of a chemical),
- similarity in physico-chemical profile of the source and target substances (water solubility, partitioning behaviour (log Kow value))
Both substances are structural homologues regarding the functional groups at the ester (phenyl vs benzyl group). Both esthers have similar physico-chemical properties. Both are moderately/poorly water soluble (108 g/L vs 0.05 mg/L), exhibit similar log Kow values (3.97 vs 3.21), have similar boiling points (355 °C vs 241 °C) and vapour pressure (3.37x10-6 mm Hg vs 8.17x10-6 mm Hg). - Reason / purpose for cross-reference:
- read-across source
- Parameter:
- % degradation (DOC removal)
- Value:
- 50
- Sampling time:
- 10 h
- Remarks on result:
- other: River water sampled in OCtober 2006
- Parameter:
- % degradation (DOC removal)
- Value:
- 50
- Sampling time:
- 14 h
- Remarks on result:
- other: River water sampled in September 2007
- Parameter:
- % degradation (DOC removal)
- Value:
- 50
- Sampling time:
- 19 h
- Remarks on result:
- other: river water sampled in November 2007
- Key result
- Parameter:
- % degradation (DOC removal)
- Value:
- 50
- Sampling time:
- 14.5 h
- Remarks on result:
- other: Mean of th three sampling times
- Validity criteria fulfilled:
- not applicable
- Interpretation of results:
- other: Moderately persistence
- Conclusions:
- Benzylparaben (CAS # 94-18-8) was having half lifes of 10 to 19 hrs which indicate that the substance is moderately persistence in water.
- Executive summary:
The biodegradation of benzylparaben was tested in Tamiya river water. The test was conducted based on the OECD guideline 301A. The initial concentration of benzylparaben was 100 µg/L and the solution was placed in a flask at 20 °C. After experimenting it was found that the benzylparaben ( CAS # 94-18-8) was degraded to 50 % after 10 to 19 hrs which indicates that it is moderately persistence in water. Regarding the criteria for ready biodegradability (≥ 70 % DOC removal in 28 days) it can not be concluded from the paper if the substance fullfills this criterion, because in derivation from the guideline 100 µg a.i./L were used instead of 10 to 40 mg DOC/L. Also no information on control groups are reported.
This information is used in a read-across approach in the assessment of the target substance.
For details and justification of read-across please refer to the attached report in section 13 of IUCLID.
Referenceopen allclose all
Description of key information
The substance is classified as readily biodegradable based on two QSAR models and one scientific publication.
Key value for chemical safety assessment
- Biodegradation in water:
- readily biodegradable
- Type of water:
- freshwater
Additional information
The biodegradability of phenylparaben is evaluated by one key study and two QSAR estimations. A scientific paper on the biodegradability on benzyl parabane in river water is available and used as read-across source. The experimental data were interpreted by the authors by characterizing the substance as moderately persistent. The 50 % degradation of the substance was reported after 10 to 19 hours and the reaction constant was determined with 0.10 to 0.069 per hour. But the experimental conditions deviate from the guideline regarding a.o. the initial concentration and the inoculum: 100 µg a.i./L were used instead of 10 to 40 mg DOC/L as recommended) and not activated sludge was used but river water. To comprehend the presented interpretation documentation is insufficient.
Therefore, two QSAR calculation were performed for further information on the biodegradability. The prediction from VEGA is: “Prediction is Possible Readily Biodegradable, but the result may be not reliable”, because the predicted compound is outside of the Applicability Domain of the model and similar molecules found in the training set have experimental values that disagree with the predicted value.
As second QSAR source (BioWin4) reports the substance as well as readily biodegradable.
Considering all available information the substance is rated as readily biodegradable.
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