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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
Key value for chemical safety assessment
Effects on fertility
Link to relevant study records
- Endpoint:
- screening for reproductive / developmental toxicity
- Remarks:
- based on test type (migrated information)
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.1
- GLP compliance:
- no
- Limit test:
- no
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Route of administration:
- oral: gavage
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- 90 days
- Dose descriptor:
- NOAEL
- Effect level:
- 125 mg/kg bw/day (actual dose received)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: piloerection, vocalization, pushing the bedding and salivation were recorded
- Remarks on result:
- other: not specified
- Critical effects observed:
- not specified
- System:
- other: not specified
- Organ:
- other: not specified
- Remarks on result:
- not measured/tested
- Reproductive effects observed:
- not specified
- Treatment related:
- not specified
- Conclusions:
- The NOAEL for 1-(6-methoxy-2-naphthyl)ethan-1-one was estimated to be 375 mg/kg bw/day (actual dose received) for rats for 53 days , this subacute value when converted to subchronic value is equivalent to 125 mg/kg bw/day (actual dose received) for rats for 90 days duration
- Executive summary:
The NOAEL for 1-(6-methoxy-2-naphthyl)ethan-1-one was estimated to be 375 mg/kg bw/day (actual
dose received) for rats for 53days, this subacute value when converted to subchronic value is equivalent to 125 mg/kg bw/day (actual dose received) for rats for 90daysduration using the toolbox version 3.2. The data is estimated to be based on the data summarized below
CAS no.
End point
Value
Species
Doses
Duration
Effects
Remarks
68131-13-5
NOEL
300 mg/kg bw/day (actual
dose received)
rat
100, 300, 750 mg/kg bw/day (actual
dose received)
53 days
piloerection, vocalization, pushing the bedding and salivation were recorded
99-76-3
NOEL
450 mg/kg bw/day (actual
dose received)
rat
40,400,800 mg/kg bw/day (actual
dose received)
3 days
no increase in uterus weights or premature vaginal opening
All the values when equalized to 90 days duration by using conversion factor of 3, the values are summarized as follows
CAS no.
End point
Value
Duration
840-65-3
NOEL
100 mg/kg bw/day (actual
dose received)
90 days
2216-69-5
NOEL
150 mg/kg bw/day (actual
dose received)
90 days
Thus the calculated NOEL of analogues for 90 days for the species rat is within the range of 100-150 mg/kg bw/day (actual dose received). Thus the predicted NOEL value is (calculated to be) 125 mg/kg bw/day (actual dose received) with 90 days for rat (harmonized using assessment factors) falls within the domain using Log Kow as the descriptor and justified to be used as NOEL for further DNEL calculation for the purpose of risk assessment. Also it does not impact the classification of the substance thus the predicted value considered to be acceptable.
Justified to be used as NOEL for the purpose of weight of evidence
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOAEL,NOEL
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 ("g"
and "h" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Fused
carbocyclic aromatic AND Ketone AND Naphtalene by Organic functional
groups
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Ether AND Fused carbocyclic
aromatic AND Ketone AND Naphtalene AND Overlapping groups by Organic
functional groups (nested)
Domain
logical expression index: "c"
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 Carbonyl, aliphatic attach [-C(=O)-] AND Carbonyl, olefinic
attach [-C(=O)-] AND Carbonyl, one aromatic 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)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Alkylarylether AND Aromatic
compound AND Carbonyl compound AND Ether AND Ketone by Organic
functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "e"
Similarity
boundary:Target:
C(C)(=O)c1cc2c(cc(OC)cc2)cc1
Threshold=50%,
Dice(Atom centered fragments)
Domain
logical expression index: "f"
Similarity
boundary:Target:
C(C)(=O)c1cc2c(cc(OC)cc2)cc1
Threshold=40%,
Dice(Atom centered fragments)
Domain
logical expression index: "g"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.05
Effect on fertility: via oral route
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 125 mg/kg bw/day
- Study duration:
- subacute
- Species:
- other: Rat
- Quality of whole database:
- K2 data obtained from QSAR estimation
Additional information
Based on the various studies available with Klimish rating 2 for target CAS NO 3900-45-6 and for the read across substances based on the category approach of organic functional group along with similar mechanistic approach and having structural similarities defined by QSAR toolbox. This data is combined with the prediction done using the QSAR toolbox for the target chemical based on similar category approach, the results is summarized as follows
Sr. No |
End point |
Value |
Species |
Effects |
Remarks |
1 |
NOEL (Maternal)
|
125 mg/Kg bw /d |
Rat |
piloerection, vocalization, pushing the bedding and salivation were recorded |
Predicted data for target chemical |
2 |
NOAEL (Maternal) |
238.33 mg/Kg bw /d
|
Rat |
No test substance related adverse effects observed. |
Predicted data for target chemical |
3 |
NOAEL male (Maternal)
|
2 mg/Kg |
Rat |
No other changes in fertility or reproductive performance were seen
|
Data from publication for CAS: 22204-53-1 |
4 |
NOAEL female (Maternal)
|
2 mg/Kg |
Rat |
No other changes in fertility or reproductive performance were seen |
Data from publication for CAS: 22204-53-1 |
5 |
LOAEL (P)
NOAEL (F1)
|
30 mg/Kg
15 mg/kg |
Rat |
increase in number of dead fetuses and resorptions
No visceral or skeletal abnormalities were seen in pups born |
Data from publication for CAS: 22204-53-1 |
Based on the studies summarized in the above table it can be observed that NOAEL was found to be in the range of 2 mg/kg -238.33 mg/Kg bw/ d and LOAEL was found to be in 30 mg/kg based on the data from prediction for target as well as publication of read across substance. The predicted NOAEL values is estimated to be 125 mg/Kg bw /d which is well within the range and can be considered for the DNEL calculations. The effects observed on these doses was listed as follows
· piloerection, vocalization, pushing the bedding and salivation were recorded.
· No test substance related adverse effects observed
· No other changes in fertility or reproductive performance were seen
· increase in number of dead fetuses and resorptions
· No visceral or skeletal abnormalities were seen in pups born
Thus based on above values it can be concluded that substance CAS NO 3900-45-6 is expected to show the similar toxicological effect based on the effects observed on the other category members. Since the no effective dose value (NOAEL) is 2 mg/Kg bw/d thus based on this value it can be concluded that substance CAS NO 3900-45-6 is considered to be not toxic to reproduction at this dose level .
Justification for selection of Effect on fertility via oral route:
The NOAEL for 1-(6-methoxy-2-naphthyl)ethan-1-one was estimated to be 375 mg/kg bw/day (actual dose received) for rats for 53 days , this subacute value when converted to subchronic value is equivalent to 125 mg/kg bw/day (actual dose received) for rats for 90 days duration
Effects on developmental toxicity
Link to relevant study records
- Endpoint:
- developmental toxicity
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.1
- GLP compliance:
- no
- Limit test:
- no
- Species:
- rat
- Strain:
- not specified
- Route of administration:
- oral: gavage
- Vehicle:
- not specified
- Duration of treatment / exposure:
- 90 days
- Dose descriptor:
- other: not specified
- Based on:
- not specified
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
- Abnormalities:
- not specified
- Localisation:
- not specified
- Description (incidence and severity):
- not specified
- Dose descriptor:
- LOEL
- Effect level:
- 64.2 mg/kg bw/day
- Based on:
- test mat.
- Sex:
- not specified
- Basis for effect level:
- other: fetotoxicity
- Remarks on result:
- other: not specified
- Abnormalities:
- not specified
- Localisation:
- other: not specified
- Description (incidence and severity):
- not specified
- Developmental effects observed:
- not specified
- Treatment related:
- not specified
- Conclusions:
- The LOEL for 1-(6-methoxy-2-naphthyl) ethan-1-one was estimated to be 64.2 mg/kg bw/day for Rattus norvegicus for 90 days
- Executive summary:
The LOEL for 1-(6-methoxy-2-naphthyl) ethan-1-one was estimated to be 64.2 mg/kg bw/day for Rattus norvegicus for 90days, using the toolbox version 3.2. The data is estimated to be based on the data summarized below
CAS no.
End point
Value
Species
Doses
Duration
Effects
Remarks
43121-43-3
LOEL
84.3 mg/kg/day
Rattus norvegicus
-
subchronic
Cleftlip palate
126-07-8
LOEL
617 mg/kg/day
Rat
125, 250, 750, 1250, 1500 mg/kg/day
Gestation day 6-15
effect observed on growth and survival
83-79-4
LOEL
6 mg/kg/day
Rattus norvegicus
-
chronic
fetal weight reduction
50-78-2
LOEL
250 mg/kg/day
rat
-
Gestation day 6-15
Resorption increase
All the values when equalized to 90 days duration by using conversion factor of 3, the values are summarized as follows
CAS no.
End point
Value
Duration
43121-43-3
LOEL
84.3 mg/kg bw/day
90 days
126-07-8
LOEL
205.66 mg/kg bw/day
90 days
83-79-4
LOEL
12 mg/kg bw/day
90 days
50-78-2
LOEL
83.333 mg/kg bw/day
90 days
Thus the calculated LOEL of analogues for 90 days for the species rat is within the range of 12-205.66 mg/kg bw/day. Thus the predicted LOEL value is (calculated to be) 96.32 mg/kg bw/day with 90 days for rat (harmonized using assessment factors) falls within the domain using Log Kow as the descriptor and justified to be used as LOEL for further DNEL calculation for the purpose of risk assessment. Also it does not impact the classification of the substance thus the predicted value considered to be acceptable.
Justified to be used as LOEL for the purpose of weight of evidence
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOEL,LOEL
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 "i" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Fused
carbocyclic aromatic AND Ketone AND Naphtalene by Organic functional
groups
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Ether AND Fused carbocyclic
aromatic AND Ketone AND Naphtalene AND Overlapping groups by Organic
functional groups (nested)
Domain
logical expression index: "c"
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 Carbonyl, aliphatic attach [-C(=O)-] AND Carbonyl, olefinic
attach [-C(=O)-] AND Carbonyl, one aromatic 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)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Alkylarylether AND Aromatic
compound AND Carbonyl compound AND Ether AND Ketone by Organic
functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "e"
Similarity
boundary:Target:
C(C)(=O)c1cc2c(cc(OC)cc2)cc1
Threshold=50%,
Dice(Atom centered fragments)
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 Moderate binder, NH2 group OR
Moderate binder, OH grooup OR 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 Weak binder, NH2 group OR Weak
binder, OH group OR Very strong binder, OH group by Estrogen Receptor
Binding
Domain
logical expression index: "h"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.13
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 4.31
Effect on developmental toxicity: via oral route
- Endpoint conclusion:
- no adverse effect observed
- 62.4 mg/kg bw/day
- Study duration:
- subacute
- Species:
- other: Rattus norvegicus
- Quality of whole database:
- K2 data obtained from QSAR estimation
Additional information
Based on the various studies available with Klimish rating 2 for the read across substances for CAS NO 3900-45-6 based on the category approach of organic functional group along with similar mechanistic approach and having structural similarities defined by QSAR toolbox. This data is combined with the prediction done using the QSAR toolbox for the target chemical based on similar category approach, the results is summarized as follows
Sr. No |
End point |
Value |
Species |
Route |
Effects |
Remarks |
1 |
LOEL |
64.2mg/ kg bw/ d |
Rattus norvegicus |
Oral |
Cleftlip palate |
Predicted data for target chemical |
2 |
NOAEL teratogenicity |
2 mg/kg |
Rabbit |
oral |
No visceral or skeletal abnormalities were seen in pups born |
Data from publication for CAS: 22204-53-1 |
3 |
NOAEL teratogenicity |
15 mg/kg |
Rabbit |
oral |
No visceral or skeletal abnormalities were seen |
Data from publication for CAS: 22204-53-1 |
4 |
NOAEL teratogenicity |
2 mg/kg |
Rabbit |
oral |
No stilborn observed, no malformation observed in fetus |
Data from publication for CAS: 22204-53-1 |
Based on the studies summarized in the above table with oral routes it can be observed that a NOAEL value was found to be in the range of 2 - 15 mg/Kg and the LOEL values is 64.2 mg/kg bw/day. The effects observed on these doses was listed as follows
· Cleftlip palate.
· No visceral or skeletal abnormalities were seen in pups born
· No visceral or skeletal abnormalities were seen
· No stilborn observed, no malformation observed in fetus
Thus based on above discussion it can be concluded that substance CAS NO 3900-45-6 is expected to show the similar toxicological effect based on the effects observed on the other category members. Since the no effective dose value (NOAEL) is 2 mg/Kg thus based on this value it can be concluded that substance CAS NO 3900-45-6 is considered to be not toxic to developmental effects for the above mentioned dose. Also CAS NO 3900-45-6 does not indicates any mechanistic trigger towards the toxicity based on absence of noncyclic structure that would raise concern of CAS NO 3900-45-6 on toxicity to human reproduction & developmental effects. Thus CAS NO 3900-45-6 is considered to be not toxic to reproductive & developmental effects for the above mentioned dose levels.
Justification for selection of Effect on developmental toxicity: via oral route:
The LOEL for 1-(6-methoxy-2-naphthyl) ethan-1-one was estimated to be 64.2 mg/kg bw/day for Rattus norvegicus for 90 days
Justification for classification or non-classification
Based on the above studies 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 reprotoxic or fetotoxic substance.
Additional information
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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