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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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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:
- Predicted 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
- Vehicle:
- not specified
- Test organisms (species):
- Daphnia magna
- Details on test organisms:
- - Common name: Water flea
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Nominal and measured concentrations:
- Estimated data
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 105.648 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- not specified
- Basis for effect:
- other: Intoxication
- Remarks on result:
- other: Other details not known
- 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 intoxication of daphnia magna the EC50 value was estimated to be 105.647 mg/l when 2-Methoxybenzyl alcohol exposed to Daphnia magna for 48 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 Daphnia magna predicted for 2-Methoxybenzyl alcohol (612-16-8). Based on the intoxication of daphnia magna the EC50 value was estimated to be105.647 mg/l when 2-Methoxybenzyl alcohol exposed to Daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 2-Methoxybenzyl alcoholis 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 "k" )
and "l" )
and "m" )
and ("n"
and (
not "o")
)
)
and ("p"
and (
not "q")
)
)
and ("r"
and (
not "s")
)
)
and "t" )
and "u" )
and ("v"
and (
not "w")
)
)
and "x" )
and ("y"
and "z" )
)
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 Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
by Estrogen Receptor Binding
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, MW>500 OR Strong
binder, OH group OR Very strong binder, OH group OR Weak binder, OH
group by Estrogen Receptor Binding
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as No superfragment by
Superfragments ONLY
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Class 3 (unspecific reactivity)
by Acute aquatic toxicity classification by Verhaar (Modified) ONLY
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Benzyl Alcohols by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Esters by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Benzyl Alcohols by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Neutral Organics by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Benzyl Alcohols by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Triazoles (Non-Fused) by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Very fast by Bioaccumulation -
metabolism half-lives ONLY
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Aliphatic alcohol [-OH] AND
Aromatic ether [-O-aromatic carbon] AND Aromatic-CH2 AND Aromatic-H AND
Methyl [-CH3] by Biodegradation fragments (BioWIN MITI)
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Aliphatic ether [C-O-C] by
Biodegradation fragments (BioWIN MITI)
Domain
logical expression index: "x"
Similarity
boundary:Target:
COc1ccccc1CO
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "y"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.54
Domain
logical expression index: "z"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.99
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 Daphnia magna predicted for 2-Methoxybenzyl alcohol (612-16-8). Based on the intoxication of daphnia magna the EC50 value was estimated to be105.647 mg/l when 2-Methoxybenzyl alcohol exposed to Daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 2-Methoxybenzyl alcoholis considered to not toxic to aquatic environment as per the criteria mentioned in CLP regulation.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 105.647 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 disodium 2-Methoxybenzyl alcohol (612-16-8) on the growth of invertebrates. 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 Daphnia magna predicted for 2-Methoxybenzyl alcohol (612-16-8). Based on the intoxication of daphnia magna the EC50 value was estimated to be105.647 mg/l when 2-Methoxybenzyl alcohol exposed to Daphnia magna for 48 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 by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 341.205 mg/l for 2-Methoxybenzyl alcohol in 48 hrs. Based on this value it can be concluded that the substance 2-Methoxybenzyl alcohol is considered to be not toxic to aquatic environment and cannot be classified as per the criteria mentioned in CLP regulation.
In the third experimental weight of evidence study for the RA chemical (98-85-1) ABITEC 2016, Determination of the inhibition of the mobility of daphnids was carried out with the substance 1-phenylethanol according to OECD Guideline 202. The test substance was tested at the limit concentration 100 mg/L. After the exposure of 48hrs to daphnia magna only 4% Daphnia were immobilised at the end of the test. Based on the mortality of daphnia magna due to the exposure of chemical 1-phenylethanol, the inhibitory concentration was 100 mg/l at which only 4% inhibition was observed. Thus median effective concentration (EC50) for the test substance, 1-phenylethanol, in Daphnia magna was determined to be > 100 mg/L for 50% immobilisation effects. This value indicates that the substance is not likely to be hazardous to aquatic invertebrates 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 invertebrates (daphnia magna). Test was conducted according to the OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test). Total 48hrs of exposure of chemical was given to the daphnia species. Test was performed in the static system. After the exposure of chemical EC50 was calculated. Based on the immobility of daphnia species, due to the exposure of chemical Benzyl alcohol for 48hrs the EC50 was 230 mg/l. Based on the EC50, it can be concluded that the chemical Benzyl alcohol was consider to be nontoxic and can be consider to be not classified as per the CLP classification criteria.
Similarly in the fifth weight of evidence study for the read across chemical α-hydroxy-o-tolyl β-D-glucopyranoside (138-52-3) from j-check, 2017 Study was conducted to determine the toxic nature of chemical α-hydroxy-o-tolyl β-D-glucopyranoside on the growth and mobility of aquatic invertebrates. Test was conducted according to the OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test). Total 48hrs of exposure of chemical was given to the daphnia species. Test was performed in the static system. After the exposure of chemical EC50 was calculated. Based on the immobility of test organism, due to the exposure of chemical α-hydroxy-o-tolyl β-D-glucopyranoside for 48hrs the EC50 was > 5000 mg/l. Based on the EC50, it can be concluded that the chemical α-hydroxy-o-tolyl β-D-glucopyranoside was consider to be 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 disodium 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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