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EC number: 222-377-2 | CAS number: 3453-33-6
- 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 3.3 and the QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Version / remarks:
- No data available
- Deviations:
- not specified
- Principles of method if other than guideline:
- Prediction was done using the OECD QSAR toolbox version 3.3.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 6-Methoxy-2-naphthaldehyde
- Molecular formula: C12H10O2
- Molecular weight: 186.209 g/mol
- Smiles notation: COc1ccc2cc(ccc2c1)C=O
- InChl: 1S/C12H10O2/c1-14-12-5-4-10-6-9(8-13)2-3-11(10)7-12/h2-8H,1H3
- Substance type: Organic
- Physical state: Solid - Analytical monitoring:
- not specified
- Details on sampling:
- No data available
- Vehicle:
- not specified
- Details on test solutions:
- No data available
- Test organisms (species):
- Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)
- Details on test organisms:
- No data available
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 72 h
- Remarks on exposure duration:
- No data available
- Post exposure observation period:
- No data available
- Hardness:
- No data available
- Test temperature:
- 23.4 to 23.7ºC
- pH:
7.30 to 7.65 at test initiation6.08 to 9.86 at end of test- Dissolved oxygen:
- No data available
- Salinity:
- No data available
- Conductivity:
- No data available
- Nominal and measured concentrations:
- No data
- Details on test conditions:
- No data available
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 192.061 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: Non toxic
- 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:
- EC50 value was estimated to be 192.060 mg/l for Species Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72 hrs duration when exposed to6-Methoxy-2-naphthaldehyde.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the eight closest read across substances, the toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for Target substance 6-Methoxy-2-naphthaldehyde (3453-33-6).EC50 value was estimated to be 192.060 mg/l for Species Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72 hrs duration when exposed to6-Methoxy-2-naphthaldehyde. Based on this value it can be concluded that the substance6-Methoxy-2-naphthaldehydeis considered as nontoxic 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 8 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((("a"
or "b" or "c" or "d" or "e" or "f" or "g" )
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and "n" )
and "o" )
and "p" )
and "q" )
and "r" )
and "s" )
and "t" )
and "u" )
and ("v"
and "w" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aldehydes (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aldehydes by Acute aquatic
toxicity MOA by OASIS
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aldehydes (Mono) by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aldehyde OR Aryl OR Ether OR
Fused carbocyclic aromatic OR Naphtalene by Organic Functional groups
ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Aldehyde OR Ether OR Fused
carbocyclic aromatic OR Naphtalene OR Overlapping groups by Organic
Functional groups (nested) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Aldehyde, aromatic attach [-CHO]
OR Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon
[-CH3] OR Aromatic Carbon [C] OR Carbonyl, olefinic attach [-C(=O)-] OR
Miscellaneous sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or
=C<] OR Oxygen, one aromatic attach [-O-] by Organic functional groups
(US EPA) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Aldehyde OR Alkylarylether OR
Aromatic compound OR Carbonyl compound OR Ether by Organic functional
groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as SN1 OR SN1 >> Alkylation after
metabolically formed carbenium ion species OR SN1 >> Alkylation after
metabolically formed carbenium ion species >> Polycyclic Aromatic
Hydrocarbon Derivatives OR SN2 OR SN2 >> Alkylation, direct acting
epoxides and related after P450-mediated metabolic activation OR SN2 >>
Alkylation, direct acting epoxides and related after P450-mediated
metabolic activation >> Polycyclic Aromatic Hydrocarbon Derivatives by
DNA binding by OASIS v.1.3
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by DPRA Cysteine peptide depletion
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as High reactive OR High reactive
>> Vinyl pyridines OR Low reactive OR Low reactive >> Long-chain
aliphatic aldehydes OR Moderate reactive OR Moderate reactive >>
Saturated aldehydes by DPRA Cysteine peptide depletion
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "n"
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: "o"
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: "p"
Referential
boundary: The
target chemical should be classified as Aldehydes by Acute aquatic
toxicity MOA by OASIS ONLY
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "r"
Similarity
boundary:Target:
COc1ccc2cc(C=O)ccc2c1
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Aldehyde AND Alkylarylether AND
Aromatic compound AND Carbonyl compound AND Ether by Organic functional
groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Aldehyde, aromatic attach [-CHO]
AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic
Carbon [-CH3] AND Aromatic Carbon [C] AND Carbonyl, olefinic attach
[-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic
carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aldehyde AND Ether AND Fused
carbocyclic aromatic AND Naphtalene AND Overlapping groups by Organic
Functional groups (nested) ONLY
Domain
logical expression index: "v"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.93
Domain
logical expression index: "w"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.6
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the eight closest read across substances, the toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for Target substance6-Methoxy-2-naphthaldehyde (3453-33-6).EC50 value was estimated to be 192.060 mg/l for Species Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72 hrs duration when exposed to6-Methoxy-2-naphthaldehyde. Based on this value it can be concluded that the substance6-Methoxy-2-naphthaldehydeis considered as nontoxic to aquatic environment as per the criteria mentioned in CLP regulation
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 192.06 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 6-Methoxy-2-naphthaldehyde (3453-33-6) on the growth of aquatic algae. The studies are as mentioned below
In the first weight of evidence study for 6-Methoxy-2-naphthaldehyde (3453-33-6), 2017 Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the eight closest read across substances, the toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for Target substance6-Methoxy-2-naphthaldehyde (3453-33-6).EC50 value was estimated to be 192.060 mg/l for Species Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72 hrs duration when exposed to6-Methoxy-2-naphthaldehyde. Based on this value it can be concluded that the substance6-Methoxy-2-naphthaldehydeis considered as nontoxic to aquatic environment as per the criteria mentioned in CLP regulation.
Similarly in another weight of evidence study for RA chemical p-Anisaldehyde (123-11-5) Evaluation of toxic nature of the chemical p-Anisaldehyde on the growth of green algae for 96hrs. Based on the growth inhibition of green algae due to the exposure of analdehyde for 96hrs, the EC50 was 110.07 mg/l. thus based on the EC50 value it was concluded that the chemical was nontoxic to the green algae and thus can be consider to be not classified as toxic as per the CLP classification criteria.
Similarly in second weight of evidence study for RA chemical Phenyltrichlorosilane (98-13-5), from SIDS report, Short term toxicity study of the chemical Phenyltrichlorosilane on the growth of green algae was observed by the exposure of chemical for 72hrs. Test was performed by static method in Erlenmeyer flasks with different concentrations 0,6.25, 12.5, 25.0, 50.0 and 100 mg/L.
A 100 mg test item/L stock solution was prepared prior to test initiation by adding 176 μL of the dosing stock solution to 800 mL algal medium using a Hamilton syringe. Thereafter, the stock solution was further diluted to a final volume of 1000 mL with algal medium, resulting in a solvent (THF) concentration of 0.10 mL/L. initial cells density was394 x 104 cells/mL. Cell concentration and all other parameters was checked and maintained. The growth rate and biomass was observed in the interval of 24hrs. After the 72hrs of exposure the NOEC was ≥ 100 mg/l and the EC50 was > 100 mg/l on the basis of biomass and growth rate. Thus based on the EC50, the chemical was nontoxic and can be consider to be not classified as toxic as per the CLP classification criteria.
Based on the data obtain from various sources for target and RA chemicals, it can be concluded that the substance 6-Methoxy-2-naphthaldehyde (3453-33-6) is considered to be not toxic to aquatic environment and cannot be classified toxic as per the criteria mentioned in CLP regulation.
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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