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EC number: 946-670-6 | 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
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- November 30th 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 adequate and reliable documentation / justification
- Justification for type of information:
- Cedarwood texas oil (cedrene) is an UVCB substance. Regarding the different solubility of its constituents that make the testing difficult and a known fraction 90.47%, calculation from the ecotoxicity of the known constituent appears as an acceptable approach.
- Principles of method if other than guideline:
- This calculation method predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following the Guideline for Testing of Chemicals No. 201, "Freshwater Alga and Cyanobacteria, Growth Inhibition Test", (1) referenced as Method C.3 of Commission Regulation No. 440/2008 (2) adapted for testing of a mixture using the WAF method. The criterion measured was the median effective loading rate of the mixture ErL50 (Median Effective Loading for specific growth rate), a statistically derived loading rate which is expected to cause 50% inhibition of intrinsic rate of growth of the test system within a period of 72 hours. The growth inhibition of algae was determined using a validated calculation method for the Mode of Action (MOA) in question (non-polar narcosis). It has been validated in an internal publication for MOA 1 (non-polar narcosis) and acute exposure (Bicherel and Thomas, 2014) (3). The algorithm is based on a QSAR model which has been validated to be compliant with the OECD recommandations for QSAR modeling (OECD, 2004) (4). The QSAR model is based on validated data from a training set of 40 chemicals derived from 72-hour test on algae, for which the concentrations of the test item had been determined by chemical analyses over the test period. Further to this the effective loading rate of the WAF is determined by using a series of calculation steps using phase equilibrium thermodynamics and excluding the non-bioavailable fraction, this approach is based on validated data derived from 72-hour ErL50 tests on algae, for which the concentrations of the test item had been determined by chemical analyses over the test period.
(1) OECD Guideline for testing of chemicals No. 201, "Freshwater Alga and Cyanobacteria, Growth Inhibition Test", adopted March 23, 2006; Annex 5 corrected July 28, 2011.
(2) Commission Regulation (EC) No. 761/2009 amending Regulation (EC) No. 440/2008, Part C, C.3.: "Algal Inhibition Test", p. 36-56, Official Journal of the European Union (EN), dated August 24, 2009, L 220:1-94.
(3) Bicherel P and Thomas PC (2014) iSafeRat® WAF calculation method to predict acute aquatic toxicity. Position paper prepared by KREATiS.
(4) OECD (2004) Principles for the validation, for regulatory purposes, of (Quantitative) Structure Activity-Relationship Models, http://www.oecd.org/env/ehs/risk-assessment/oecdquantitativestructure-activityrelationshipsprojectqsars.htm. - GLP compliance:
- no
- Remarks:
- Not required for a calculation based on multiple QSARs method.
- Specific details on test material used for the study:
- Typical legal entity composition provided by the registrant of the substance, REACH NCS Sesquiterpenes HC / Alc consortium. Composition is as agreed in the Substance Identification Profile version-4.1 dated 14 August 2017. See test material information: Cedarwood texas oil (cedrene) (QSAR)
- Analytical monitoring:
- no
- Remarks:
- Not relevant for a calculation based on multiple QSARs method
- Details on sampling:
- Not relevant.
- Test organisms (species):
- other: green algae
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EL50
- Effect conc.:
- > 163 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- other: Water Accomodated Fraction
- Basis for effect:
- growth rate
- Remarks on result:
- other: Calculation based on QSARs/nominal solubility limit
- Remarks:
- The effective loading rate of the WAF is determined by using a series of calculation steps using phase equilibrium thermodynamics and excluding the non-bioavailable fraction.
- Details on results:
- The Analytically Measurable Aqueous Phase is maximum 2.07 mg/L of the test item and the Water Accommodated Fraction (WAF) maximum is 163 mg/L. Using a loading rate of 163 mg/L, i.e. at the maximal solubility of the UVCB in water, and after removal of the non-bioavailable fraction, the remaining solubilised fraction is not sufficient to exert any toxicity effect based growth rate observations. Therefore it is not possible to determine a 72h-ErL50 below the water solubility limit.
- Validity criteria fulfilled:
- yes
- Remarks:
- QSAR model validated to be compliant with the OECD recommendation for QSAR modelling (OECD, 2004) described within the QMRF.
- Conclusions:
- The 72h ErL50 (mg test item.L-1) = above the water solubility limit (> 163 mg/L)
- Executive summary:
A calculation method was used to predict the inhibition of algal growth exposed to the test item Cedarwood texas oil (cedrene). This calculation method predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following the Guideline for Testing of Chemicals No. 201, "Freshwater Alga and Cyanobacteria, Growth Inhibition Test", (1) referenced as Method C.3 of Commission Regulation No. 440/2008 (2) adapted for testing of a mixture using the WAF method. By using a "known constituents approach" based on non-polar-narcosis MOA-1 QSARs and WAF "adapted water solubilities”, the algae 72h-ErL50 is concluded to be above the WAF estimated at 163 mg/L.
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- November 30th 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 adequate and reliable documentation / justification
- Justification for type of information:
- Cedarwood Texas oil (Thujopsene) is an UVCB substance. Regarding the different solubility of its constituents that make the testing difficult and a known fraction 95.5%, calculation from the ecotoxicity of the known constituent appears as an acceptable approach.
- Principles of method if other than guideline:
- This calculation method predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following the Guideline for Testing of Chemicals No. 201, "Freshwater Alga and Cyanobacteria, Growth Inhibition Test", (1) referenced as Method C.3 of Commission Regulation No. 440/2008 (2) adapted for testing of a mixture using the WAF method. The criterion measured was the median effective loading rate of the mixture ErL50 (Median Effective Loading for specific growth rate), a statistically derived loading rate which is expected to cause 50% inhibition of intrinsic rate of growth of the test system within a period of 72 hours. The growth inhibition of algae was determined using a validated calculation method for the Mode of Action (MOA) in question (non-polar narcosis). It has been validated in an internal publication for MOA 1 (non-polar narcosis) and acute exposure (Bicherel and Thomas, 2014) (3). The algorithm is based on a QSAR model which has been validated to be compliant with the OECD recommandations for QSAR modeling (OECD, 2004) (4). The QSAR model is based on validated data from a training set of 40 chemicals derived from 72-hour test on algae, for which the concentrations of the test item had been determined by chemical analyses over the test period. Further to this the effective loading rate of the WAF is determined by using a series of calculation steps using phase equilibrium thermodynamics and excluding the non-bioavailable fraction, this approach is based on validated data derived from 72-hour ErL50 tests on algae, for which the concentrations of the test item had been determined by chemical analyses over the test period.
(1) OECD Guideline for testing of chemicals No. 201, "Freshwater Alga and Cyanobacteria, Growth Inhibition Test", adopted March 23, 2006; Annex 5 corrected July 28, 2011.
(2) Commission Regulation (EC) No. 761/2009 amending Regulation (EC) No. 440/2008, Part C, C.3.: "Algal Inhibition Test", p. 36-56, Official Journal of the European Union (EN), dated August 24, 2009, L 220:1-94.
(3) Bicherel P and Thomas PC (2014) iSafeRat® WAF calculation method to predict acute aquatic toxicity. Position paper prepared by KREATiS.
(4) OECD (2004) Principles for the validation, for regulatory purposes, of (Quantitative) Structure Activity-Relationship Models, http://www.oecd.org/env/ehs/risk-assessment/oecdquantitativestructure-activityrelationshipsprojectqsars.htm. - GLP compliance:
- no
- Remarks:
- Not required for a calculation based on multiple QSARs method.
- Specific details on test material used for the study:
- Typical legal entity composition provided by the registrant of the substance, REACH NCS Sesquiterpenes HC / Alc consortium. Composition is as agreed in the Substance Identification Profile version-4.1 dated 14 August 2017. See Test material information: Cedarwood Texas oil (Thujopsene) (QSAR)
- Analytical monitoring:
- no
- Remarks:
- Not relevant for a calculation based on multiple QSARs method
- Details on sampling:
- Not relevant.
- Test organisms (species):
- other: green algae
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EL50
- Effect conc.:
- > 31.1 mg/L
- Nominal / measured:
- nominal
- Conc. based on:
- other: Water Accomodated Fraction
- Basis for effect:
- growth rate
- Remarks on result:
- other: Nominal solubility limit/ Calculation based on QSARs.
- Remarks:
- The effective loading rate of the WAF is determined by using a series of calculation steps using phase equilibrium thermodynamics and excluding the non-bioavailable fraction.
- Details on results:
- The Analytically Measurable Aqueous Phase is maximum 2.07 mg/L of the test item and the Water Accommodated Fraction (WAF) maximum is 31.1 mg/L. Using a loading rate of 31.1 mg/L, i.e. at the maximal solubility of the UVCB in water, and after removal of the non-bioavailable fraction, the remaining solubilised fraction is not sufficient to exert any toxicity effect based growth rate observations. Therefore it is not possible to determine a 72h-ErL50 below the water solubility limit.
- Validity criteria fulfilled:
- yes
- Remarks:
- QSAR model validated to be compliant with the OECD recommendation for QSAR modelling (OECD, 2004) described within the QMRF.
- Conclusions:
- The 72h ErL50 (mg test item.L-1) = above the water solubility limit (> 31.1 mg/L)
- Executive summary:
A calculation method was used to predict the inhibition of algal growth exposed to the test item Cedarwood Texas oil (Thujopsene). This calculation method predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following the Guideline for Testing of Chemicals No. 201, "Freshwater Alga and Cyanobacteria, Growth Inhibition Test", (1) referenced as Method C.3 of Commission Regulation No. 440/2008 (2) adapted for testing of a mixture using the WAF method. By using a "known constituents approach" based on non-polar-narcosis MOA-1 QSARs and WAF "adapted water solubilities”, the algae 72h-ErL50 is concluded to be above the WAF estimated at 31.1 mg/L.
Referenceopen allclose all
Description of key information
A calculation method was used to predict the inhibition of algal growth exposed to the test item Cedarwood Texas distilled Terpenes 1 (Cedrene). This calculation method predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following the Guideline for Testing of Chemicals No. 201, "Freshwater Alga and Cyanobacteria, Growth Inhibition Test", (1) referenced as Method C.3 of Commission Regulation No. 440/2008 (2) adapted for testing of a mixture using the WAF method. By using a "known constituents approach" based on non-polar-narcosis MOA-1 QSARs and WAF "adapted water solubilities”, the algae 72h-ErL50 is concluded to be above the WAF estimated at 163 mg/L.
Similarly, a calculation method was used to predict the inhibition of algal growth exposed to the test item Cedarwood Texas distilled Terpenes 2(Thujopsene). This calculation method predicts the endpoint value which would be expected when testing the substance under experimental conditions in a laboratory following the Guideline for Testing of Chemicals No. 201, "Freshwater Alga and Cyanobacteria, Growth Inhibition Test", (1) referenced as Method C.3 of Commission Regulation No. 440/2008 (2) adapted for testing of a mixture using the WAF method. By using a "known constituents approach" based on non-polar-narcosis MOA-1 QSARs and WAF "adapted water solubilities”, the algae 72h-ErL50 is concluded to be above the WAF estimated at 31.1 mg/L.
Key value for chemical safety assessment
Additional information
For both Cedarwood Texas distilled Terpene qualities, the ErL50 values were therefore estimated above their WAF solubilities, at least > 31.1 mg/L.
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