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EC number: 223-453-8 | CAS number: 3900-45-6
- 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
Endpoint summary
Administrative data
Description of key information
The substance 1-(6-methoxy-2-naphthyl)ethan-1-one was found to be skin irritant but not an eye irritant
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- according to guideline
- Guideline:
- other: etimated data
- Principles of method if other than guideline:
- Prediction is done using the QSAR toolbox version 2.3
- GLP compliance:
- not specified
- Species:
- rabbit
- Strain:
- New Zealand White
- Type of coverage:
- semiocclusive
- Preparation of test site:
- not specified
- Vehicle:
- not specified
- Irritation parameter:
- primary dermal irritation index (PDII)
- Score:
- 1.27
- Reversibility:
- no data
- Remarks on result:
- other: midly irritating
- Interpretation of results:
- slightly irritating
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The estimated Primary irritaiion index score of 1-(6-methoxy-2-naphthyl)ethan-1-one for male/female rabbits using QSAR toolbox version 2.3 is 1.27. Based on this value and and criteria of classifiction mentioned in new CLP regulation it can be concluded that 1-(6-methoxy-2-naphthyl)ethan-1-one is slightly irritaing via dermal route.
- Executive summary:
The estimated Primary irritaiion index score of 1-(6-methoxy-2-naphthyl)ethan-1-one for male/female rabbits using QSAR toolbox version 2.3 is 1.27. Based on this value and and criteria of classifiction mentioned in new CLP regulation it can be concluded that 1-(6-methoxy-2-naphthyl)ethan-1-one is slightly irritaing via dermal route.
Reference
The prediction was based on dataset comprised from the following descriptors: "Primary Irritation Index"
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(("a" and "b" ) and ("c" and "d" ) )
Domain logical expression index: "a"
Similarity boundary:Target: C(C)(=O)c1cc2c(cc(OC)cc2)cc1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Similarity boundary:Target: C(C)(=O)c1cc2c(cc(OC)cc2)cc1
Threshold=80%,
Dice(Atom pairs)
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is >= 2.46
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of log Kow which is <= 3.18
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using the QSAR toolbox version 2.3
- GLP compliance:
- not specified
- Species:
- rabbit
- Strain:
- not specified
- Vehicle:
- not specified
- Irritation parameter:
- other: MMAS
- Basis:
- mean
- Score:
- 9.74
- Reversibility:
- not specified
- Remarks on result:
- other: not irritant
- Interpretation of results:
- not irritating
- Remarks:
- Migrated information
- Conclusions:
- The estimated MMAS score of 1-(6-methoxy-2-naphthyl)ethan-1-one for male/female rabbits using QSAR toolbox version 2.3 is 9.74. Based on this value and and criteria of classifiction mentioned in new CLP regulation it can be concluded that 1-(6-methoxy-2-naphthyl)ethan-1-one is not irritaing to eyes.
- Executive summary:
The estimated MMAS score of 1-(6-methoxy-2-naphthyl)ethan-1-one for male/female rabbits using QSAR toolbox version 2.3 is 9.74. Based on this value and and criteria of classifiction mentioned in new CLP regulation it can be concluded that 1-(6-methoxy-2-naphthyl)ethan-1-one is not irritaing to eyes.
Reference
The prediction was based on dataset comprised from the following descriptors: MMAS
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(("a" and "b" ) and ("c" and "d" ) )
Domain logical expression index: "a"
Similarity boundary:Target: C(C)(=O)c1cc2c(cc(OC)cc2)cc1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Similarity boundary:Target: C(C)(=O)c1cc2c(cc(OC)cc2)cc1
Threshold=80%,
Dice(Atom pairs)
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is >= 2.6
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of log Kow which is <= 4.66
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Additional information
Skin irritation:
Based on studies of target substance CAS NO 3900-45-6 and read across reviewed for skin irritation from reliable sources having Klimisch rating 2 considering weight of evidence approach.
The summary of the results are presented below
Sr. No |
End point |
effect |
Species |
Remark |
1 |
Primary dermal irritation index |
Slightly ittitating |
Rabbits |
Predicted data of target chemical |
2 |
Overall irritation score |
mild irritating |
Human |
Predicted data of target chemical |
3 |
Overall irritation score |
irritating |
Human |
Data from publication for CAS: 93-08-3 |
4 |
Overall irritation score |
irritating |
mouse |
Data from publication for CAS: 93-08-3 |
5 |
Primary dermal irritation index |
mild irritating |
Rabbits |
Data from publication for CAS: 119-61-9 |
Based on results summarized in above table for the target chemical CAS NO 3900-45-6 and read across, it can be concluded that the substance is irritating to the skin of Human, Rabbit and mouse. Thus1-(6-methoxy-2-naphthyl) ethan-1-oneis considered to be skin irritant as the criteria of CLP regulation and classified as skin irri category 2.
Eye irritation:
Based on studies of target substance CAS NO 3900-45-6 and read across reviewed for eye irritation from reliable sources having Klimisch rating 2 and 4considering weight of evidence approach
The summary of the results are presented below
Sr. No |
End point |
effect |
Species |
Remark |
1 |
MMAS(modified maximum average score (MMAS)) |
not irritating |
Rabbit |
Predicted data for target chemical
|
2 |
Overall irritation score |
mild irritating |
Rabbit |
Data is from handbook for CAS NO 119-61-9 |
3 |
Overall irritation score |
not irritating |
Rabbit |
data from Study report for for CAS NO 119-61-9 |
Based on the results summarized in above tables for the target chemical CAS NO 3900-45-6 and read across, it can be concluded that the substance is not irritating to the eye of rabbit.Thus based on this result 1-(6-methoxy-2-naphthyl) ethan-1-one is not considered to be an eye irritant as per the criteria of CLP regulation.
Justification for selection of skin irritation / corrosion endpoint:
The estimated Primary irritation index score of 1-(6-methoxy-2-naphthyl)ethan-1-one for male/female rabbits using QSAR toolbox version 2.3 is 1.27. Based on this value and and criteria of classifiction mentioned in new CLP regulation it can be concluded that 1-(6-methoxy-2-naphthyl)ethan-1-one is slightly irritating via dermal route.
Justification for selection of eye irritation endpoint:
The estimated MMAS score of 1-(6-methoxy-2-naphthyl)ethan-1-one for male/female rabbits using QSAR toolbox version 2.3 is 9.74. Based on this value and and criteria of classifiction mentioned in new CLP regulation it can be concluded that 1-(6-methoxy-2-naphthyl)ethan-1-one is not irritaing to eyes.
Effects on skin irritation/corrosion: slightly irritating
Justification for classification or non-classification
Based on the above studies it can be concluded that the substance was found to be a skin irritant in but will not have any irritating property to eyes. hence according to CLP criteria the substance 1-(6-methoxy-2-naphthyl)ethan-1-one was classified as Skin irritant category 2 but not an eye irritant.
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