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EC number: 210-296-5 | CAS number: 612-16-8
- 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:
- weight of evidence
- 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:
- Data is from OECD QSAR toolbox version 3.4 and the QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction was done using the OECD QSAR toolbox version 3.4.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name: 2-Methoxybenzyl alcohol
- Molecular formula: C8H10O2
- Molecular weight: 136.168 mg/l
- Smiles:O(c1c(cccc1)CO)C
- InChI:1S/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
- Substance type:Organic
- Physical state:Liquid - Analytical monitoring:
- not specified
- Details on sampling:
- No data available
- Vehicle:
- not specified
- Details on test solutions:
- No data available
- Test organisms (species):
- Desmodesmus subspicatus (previous name: Scenedesmus subspicatus)
- Details on test organisms:
- No data available
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Test temperature:
- 23 ± 2 °C
- pH:
- 8
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 407.572 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- not specified
- Basis for effect:
- growth rate
- Remarks on result:
- other: Nontoxic
- Details on results:
- No data available
- Results with reference substance (positive control):
- No data available
- Reported statistics and error estimates:
- No data available
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Based on the growth inhibition of green algae the EC50 value was estimated to be 407.57 mg/l when 2-Methoxybenzyl alcohol exposed to Desmodesmus subspicatus for 72 hrs.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) predicted for 2-Methoxybenzyl alcohol (612-16-8). Based on the growth inhibition of green algae the EC50 value was estimated to be 407.57 mg/l when 2-Methoxybenzyl alcohol exposed to Desmodesmus subspicatus for 72 hrs. Based on this value it can be concluded that the substance 2-Methoxybenzyl alcohol is considered to not toxic to aquatic environment as per the criteria mentioned in CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((((("a"
or "b" or "c" or "d" or "e" )
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and ("p"
and (
not "q")
)
)
and ("r"
and "s" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Benzyl Alcohols by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alcohol AND Alkoxy AND Aryl AND
Benzyl AND Ether by Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Benzyl AND Ether AND
Overlapping groups by Organic Functional groups (nested)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon
[C] AND Hydroxy, aliphatic attach [-OH] AND Olefinic carbon [=CH- or
=C<] AND Oxygen, one aromatic attach [-O-] by Organic functional groups
(US EPA)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Alcohol AND Alkylarylether AND
Aromatic compound AND Ether AND Hydroxy compound AND Primary alcohol by
Organic functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.4
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Michael-type
addition on alpha, beta-unsaturated carbonyl compounds OR AN2 >>
Michael-type addition on alpha, beta-unsaturated carbonyl compounds >>
Four- and Five-Membered Lactones OR Non-covalent interaction OR
Non-covalent interaction >> DNA intercalation OR Non-covalent
interaction >> DNA intercalation >> DNA Intercalators with Carboxamide
and Aminoalkylamine Side Chain OR Radical OR Radical >> Radical
mechanism via ROS formation (indirect) OR Radical >> Radical mechanism
via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic
Amines OR SN1 OR SN1 >> Nucleophilic attack after nitrenium ion
formation OR SN1 >> Nucleophilic attack after nitrenium ion formation >>
Single-Ring Substituted Primary Aromatic Amines OR SN2 OR SN2 >>
Alkylation, ring opening SN2 reaction OR SN2 >> Alkylation, ring opening
SN2 reaction >> Four- and Five-Membered Lactones by DNA binding by OASIS
v.1.4
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, MW>500 OR Non binder, non cyclic structure OR
Strong binder, NH2 group OR Strong binder, OH group OR Very strong
binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Halogens by Groups of elements
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 16
- Oxygen O by Chemical elements
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Group 15 - Nitrogen N OR Group
16 - Sulfur S by Chemical elements
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Alcohol AND Alkoxy AND Aryl AND
Benzyl AND Ether by Organic Functional groups
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Acyloin OR Dihydroxyl group OR
Fused carbocyclic aromatic OR Ketone OR Naphtalene by Organic Functional
groups
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon
[C] AND Hydroxy, aliphatic attach [-OH] AND Olefinic carbon [=CH- or
=C<] AND Oxygen, one aromatic attach [-O-] by Organic functional groups
(US EPA)
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon, two phenyl
attach [-C-] by Organic functional groups (US EPA)
Domain
logical expression index: "r"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.609
Domain
logical expression index: "s"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.52
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) predicted for 2-Methoxybenzyl alcohol (612-16-8). Based on the growth inhibition of green algae the EC50 value was estimated to be 407.57 mg/l when 2-Methoxybenzyl alcohol exposed to Desmodesmus subspicatus for 72 hrs. Based on this value it can be concluded that the substance 2-Methoxybenzyl alcohol is considered to not toxic to aquatic environment as per the criteria mentioned in CLP regulation.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 407.57 mg/L
Additional information
Based on the various experimental data and prediction data for the target chemical study have been reviewed to determine the toxic nature of 2-Methoxybenzyl alcohol (612-16-8) on the growth of algae. The studies are as mentioned below:
In the first predicted study for the target chemical 2-Methoxybenzyl alcohol (612-16-8) from QSAR toolbox 2017, study was carried out. Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Desmodesmus subspicatus (previous name: Scenedesmus subspicatus) predicted for 2-Methoxybenzyl alcohol (612-16-8). Based on the growth inhibition of green algae the EC50 value was estimated to be 407.57 mg/l when 2-Methoxybenzyl alcohol exposed to Desmodesmus subspicatus for 72 hrs. Based on this value it can be concluded that the substance 2-Methoxybenzyl alcohol is considered to not toxic to aquatic environment as per the criteria mentioned in CLP regulation.
Similarly in the second weight of evidence study from EPIsuite, 2017. Based on the prediction done using the EPI Suite ECOSAR version 1.10, the short term toxicity on green algae was predicted for test substance 2-Methoxybenzyl alcohol (612 -16 -8). On the basis of effects observed in a static freshwater system, the effect concentration EC50 value for the substance is estimated to be 184.182 mg/l for green algae for 72hrs duration. Based on this value, it can be concluded that the test chemical 2-Methoxybenzyl alcohol can be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.
In the third experimental weight of evidence study for the RA chemical 1-phenylethanol (98-85-1) ABITEC 2016, Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance 1-phenylethanol according to OECD Guideline 201. The test substance was dissolved in DMSO and tested at the concentrations 0 and 100 mg/L. Effects on the growth rate of the organism were studied. Based on the growth inhibition of green algae Desmodesmus subspicatus, due to the 1-phenylethanol, the IC1.5 was 100 mg/l. Thus median effective concentration (EC50) for the test substance, 1-phenylethanol, in Desmodesmus subspicatus was determined to be > 100 mg/L. This value indicates that the substance is not likely to be hazardous to aquatic algae as per the CLP criteria.
Similarly in the fourth weight of evidence study for the read across chemical Benzyl alcohol (100-51-6) from j-check 2017, Study was conducted to determine the toxic nature of chemical Benzyl alcohol on the growth of aquatic green algae. Test was performed according to the OECD Guideline 201 (Alga, Growth Inhibition Test). Green algae exposed for 72hrs with the chemical. Test conducted by the static system. After the exposure of chemical, the effect concentration and no observed effect concentration was measured. Based on the growth rate inhibition of green algae the EC50 and NOEC was 770 mg/l and 310 mg/l. Based on the Area under the growth curved (AUG), the EC50 and NOEC was 500 and 310 mg/l by the exposure of chemical Benzyl alcohol for 72hrs. Thus it was concluded that the chemical was nontoxic and can be consider to be not classified as per the CLP classification criteria.
Based on the data obtain from various predicted and experimental studies for the toxicity on invertebrates due to the exposure of 2-Methoxybenzyl alcohol (612-16-8) thus it was concluded that the chemical 2-Methoxybenzyl alcohol was consider as nontoxic and can be consider to be not classified as toxic to aquatic invertebrates as per CLP classification criteria.
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