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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
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 3.3 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):
- Daphnia magna
- Details on test organisms:
- No data available
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Remarks on exposure duration:
- No data available
- Post exposure observation period:
- No data available
- Hardness:
- No data available
- Test temperature:
- 19.5-20.5°C
- pH:
- No data available
- Dissolved oxygen:
- No data available
- Salinity:
- No data available
- Conductivity:
- No data available
- Nominal and measured concentrations:
- No data available
- Details on test conditions:
- No data available
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 110.47 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- 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:
- The EC50 value was estimated to be 110.4696 mg/l when 6-Methoxy-2-naphthaldehyde exposed to Daphnia magna for 48hrs.
- 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 seven closest read across substances, toxicity on Daphnia magna was predicted for 6-Methoxy-2-naphthaldehyde (3453-33-6). The EC50 value was estimated to be 110.4696 mg/l when 6-Methoxy-2-naphthaldehyde exposed to Daphnia magna for 48hrs.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 7 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((((((((((((("a"
or "b" or "c" or "d" or "e" or "f" or "g" )
and "h" )
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and (
not "v")
)
)
and ("w"
and (
not "x")
)
)
and ("y"
and (
not "z")
)
)
and ("aa"
and (
not "ab")
)
)
and ("ac"
and (
not "ad")
)
)
and ("ae"
and (
not "af")
)
)
and ("ag"
and (
not "ah")
)
)
and ("ai"
and (
not "aj")
)
)
and ("ak"
and (
not "al")
)
)
and ("am"
and (
not "an")
)
)
and ("ao"
and (
not "ap")
)
)
and ("aq"
and (
not "ar")
)
)
and ("as"
and "at" )
)
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 Class 3 (unspecific reactivity)
by Acute aquatic toxicity classification by Verhaar (Modified) ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Aldehydes (Mono) by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Aldehydes (Poly) OR Aliphatic
Amines by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Aldehydes (Mono) by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Inorganic Compound by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Aldehydes (Mono) by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Not Related to an Existing
ECOSAR Class by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Aldehydes (Mono) by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Salt by Aquatic toxicity
classification by ECOSAR
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Aldehydes (Mono) by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Vinyl/Allyl Aldehydes by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Aldehyde [-CHO] AND Aromatic
ether [-O-aromatic carbon] AND Aromatic-H AND Methyl [-CH3] AND
Naphthalene AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Polyaromatic hydrocarbon (4 or
more rings) OR Polycyclic -CH3 (3 fused rings or less) by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aldehyde [-CHO] AND Aromatic
ether [-O-aromatic carbon] AND Aromatic-H AND Methyl [-CH3] AND
Naphthalene AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as Unsubstituted phenyl group
(C6H5-) by Bioaccumulation - metabolism alerts
Domain
logical expression index: "w"
Referential
boundary: The
target chemical should be classified as Aldehyde [-CHO] AND Aromatic
ether [-O-aromatic carbon] AND Aromatic-H AND Methyl [-CH3] AND
Naphthalene AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Pyridine ring by Bioaccumulation
- metabolism alerts
Domain
logical expression index: "y"
Referential
boundary: The
target chemical should be classified as Aldehyde [-CHO] AND Aromatic
ether [-O-aromatic carbon] AND Aromatic-H AND Methyl [-CH3] AND
Naphthalene AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "z"
Referential
boundary: The
target chemical should be classified as Unsubstituted aromatic (3 or
less rings) by Bioaccumulation - metabolism alerts
Domain
logical expression index: "aa"
Referential
boundary: The
target chemical should be classified as Aldehyde [-CHO] AND Aromatic
ether [-O-aromatic carbon] AND Aromatic-H AND Methyl [-CH3] AND
Naphthalene AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "ab"
Referential
boundary: The
target chemical should be classified as No alert found by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "ac"
Referential
boundary: The
target chemical should be classified as Aldehyde [-CHO] AND Aromatic
ether [-O-aromatic carbon] AND Aromatic-H AND Methyl [-CH3] AND
Naphthalene AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "ad"
Referential
boundary: The
target chemical should be classified as Benzene by Bioaccumulation -
metabolism alerts
Domain
logical expression index: "ae"
Referential
boundary: The
target chemical should be classified as Aldehyde [-CHO] AND Aromatic
ether [-O-aromatic carbon] AND Aromatic-H AND Methyl [-CH3] AND
Naphthalene AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "af"
Referential
boundary: The
target chemical should be classified as Alkyl substituent on aromatic
ring by Bioaccumulation - metabolism alerts
Domain
logical expression index: "ag"
Referential
boundary: The
target chemical should be classified as Aldehyde [-CHO] AND Aromatic
ether [-O-aromatic carbon] AND Aromatic-H AND Methyl [-CH3] AND
Naphthalene AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "ah"
Referential
boundary: The
target chemical should be classified as Carbon with 4 single bonds & no
hydrogens by Bioaccumulation - metabolism alerts
Domain
logical expression index: "ai"
Referential
boundary: The
target chemical should be classified as Aldehyde [-CHO] AND Aromatic
ether [-O-aromatic carbon] AND Aromatic-H AND Methyl [-CH3] AND
Naphthalene AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "aj"
Referential
boundary: The
target chemical should be classified as -CH2- [linear] by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "ak"
Referential
boundary: The
target chemical should be classified as Aldehyde [-CHO] AND Aromatic
ether [-O-aromatic carbon] AND Aromatic-H AND Methyl [-CH3] AND
Naphthalene AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "al"
Referential
boundary: The
target chemical should be classified as Unsubstituted Cycloalkane by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "am"
Referential
boundary: The
target chemical should be classified as Aldehyde [-CHO] AND Aromatic
ether [-O-aromatic carbon] AND Aromatic-H AND Methyl [-CH3] AND
Naphthalene AND Number of fused 6-carbon aromatic rings by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "an"
Referential
boundary: The
target chemical should be classified as Triazine ring (symmetric) by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "ao"
Referential
boundary: The
target chemical should be classified as No Data by Ultimate biodeg
Domain
logical expression index: "ap"
Referential
boundary: The
target chemical should be classified as 10 to 100 days by Ultimate biodeg
Domain
logical expression index: "aq"
Referential
boundary: The
target chemical should be classified as Basic [0,10) AND No pKa value by
Ionization at pH = 4
Domain
logical expression index: "ar"
Referential
boundary: The
target chemical should be classified as Acidic [0,10) by Ionization at
pH = 4
Domain
logical expression index: "as"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.347
Domain
logical expression index: "at"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.45
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 seven closest read across substances, toxicity on Daphnia magna was predicted for 6-Methoxy-2-naphthaldehyde (3453-33-6). The EC50 value was estimated to be 110.4696 mg/l when 6-Methoxy-2-naphthaldehyde exposed to Daphnia magna for 48hrs.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 110.47 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 invertebrates. 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 seven closest read across substances, toxicity on Daphnia magna was predicted for 6-Methoxy-2-naphthaldehyde (3453-33-6). The EC50 value was estimated to be 110.4696 mg/l when 6-Methoxy-2-naphthaldehyde exposed to Daphnia magna for 48hrs.
Similarly in another weight of evidence study for RA chemical vanillin (121-33-5) Short term toxicity of vanillin on the growth and mobility of daphnia magna was checked for 24hrs. Daphnia magna was expose with chemical and measured the effect concentration at which the 50% inhibition was occurred. Based on the immobilization of daphnia magna due to the vanillin for 24hrs, the EC50 was 180mg/l. Based on the EC50 value vanillin was nontoxic and can be consider to be not classified as per the CLP classification criteria.
Similarly in another weight of evidence study for RA chemical Phenyltrichlorosilane (98-13-5) Short term toxicity study of the chemical Phenyltrichlorosilane on the growth of daphnia magna. Test was performed according to the standard OECD guidelines. Toxicity was measured at the different concentrations 2.0, 4.3, 9.4, 20.7, 45.5 and 100 mg/L. solvent and one control was also run simultaneously. A 100 mg test item/L stock solution was prepared prior to test initiation by adding 352 μL of the dosing stock solution to 1600 mL dilution water using a Hamilton syringe. Prior to addition of the dosing stock solution, the glass beaker containing the dilution water was placed on a magnetic stirrer. The spiked solution was stirred continuously overnight. The pH of the solution was then adjusted to 7.01 with 1 N hydrochloric acid (HCl) and 1 N sodium hydroxide (NaOH). Thereafter, the stock solution was further diluted to a final volume of 2000 mL with dilution water, resulting in a solvent (THF) concentration of 0.10 mL/L. Nominal concentrations of 2.0, 4.3, 9.4, 20.7, 45.5 and 100 mg/L were prepared by dilution of the stock solution. And addition of THF to a final concentration of 0.1 mL/L. After the exposure of < 24 hours old daphnia’s to the Phenyltrichlorosilane, the NOEC was 9.4mg/l and EC50 was >100mg/l. based on the EC50 value the chemical was toxic and can be consider to be not classified as toxic as per the CLP classification criteria.
In the fourth weight of evidence study for another RA chemical Hydroxy-2-naphthalenecarboxylic acid (92-70-6) Short term toxicity study of 3-Hydroxy-2-naphthalenecarboxylic acid on the growth of daphnia magna was observed. 98 % pure chemical was tested on the growth of daphnia magna. Based on the immobility of daphnia magna due to the exposure with 3-hydroxy-2-naphthoic acid, the EC50 was 137.03 mg/l.
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.
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