1-(6-methoxy-2-naphthyl)ethan-1-one

Endpoint summary

Description of key information

The substance 1-(6-methoxy-2-naphthyl)ethan-1-one is not toxic by any of the following route (Oral, inhalation dermal)of exposure.

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records

Reference

Endpoint:

acute toxicity: oral

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 doen using the QSAR toolbox version 2.3

GLP compliance:

not specified

Test type:

standard acute method

Species:

other: Rattus norvegicus

Strain:

not specified

Sex:

male/female

Route of administration:

oral: unspecified

Vehicle:

not specified

Sex:

male/female

Dose descriptor:

LD50

Effect level:

2 246.019 mg/kg bw

Based on:

test mat.

The prediction was based on dataset comprised from the following descriptors: LD50
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=60%,
Dice(Atom pairs)

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is >= 2.63

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.25

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

The estimated lethal dose concentration (LD50) of 1-(6-methoxy-2-naphthyl)ethan-1-one for male/female rats using QSAR toolbox version 2.3 is 2246.02 mg/kg bw. 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 toxic via oral route.

Executive summary:

The estimated lethal dose concentration (LD50) of 1-(6-methoxy-2-naphthyl)ethan-1-one for male/female rats using QSAR toolbox version 2.3 is 2246.02 mg/kg bw. 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 toxic via oral route.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

2 246.02 mg/kg bw

Quality of whole database:

K2 data obtained from QSAR estimation

Acute toxicity: via inhalation route

Link to relevant study records

Reference

Endpoint:

acute toxicity: inhalation

Data waiving:

other justification

Justification for data waiving:

other:

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Acute toxicity: via dermal route

Link to relevant study records

Reference

Endpoint:

acute toxicity: dermal

Type of information:

experimental study

Adequacy of study:

weight of evidence

Reliability:

4 (not assignable)

Qualifier:

according to guideline

Guideline:

other:

Principles of method if other than guideline:

standard acute method

GLP compliance:

not specified

Test type:

standard acute method

Species:

rabbit

Strain:

not specified

Sex:

not specified

Type of coverage:

not specified

Vehicle:

not specified

Control animals:

not specified

Sex:

not specified

Dose descriptor:

LD50

Effect level:

> 5 000 mg/kg bw

Based on:

test mat.

Interpretation of results:

not classified

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

Acute toxicity of Methyl 2-naphthyl ether to rat by dermal route studied at dose concentration > 5gm/kg (5000mg/kg).This LD50 value indicate that
Methyl 2-naphthyl ether was non toxic to rabbit by dermal route.

Executive summary:

Acute toxicity of Methyl 2-naphthyl ether to rat by dermal route studied at dose concentration > 5gm/kg (5000mg/kg).This LD50 value indicate that

Methyl 2-naphthyl ether was non toxic to rabbit by dermal route.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

5 000 mg/kg bw

Quality of whole database:

K2 data from relaible journal food and cosmetics toxicology

Additional information

Acute toxicity Oral

Based on studies of target substance CAS NO 3900-45-6 and read across reviewed for acute oral toxicity from reliable sources having Klimisch rating 2 and 4 considering the weight of evidence approach.

 

The summary of the results are presented below

Sr. No	End point	Value	Species	Remark
1	LD50	2246.019 mg/kgbw	Rattus norvegicus	Predicted data of target chemical
2	LD50	5000 mg/kgbw	Rat	Data from publication for CAS NO 93-04-9
3	LD50	>10000 mg/kgbw	Rat	Data from publication CAS NO 119-61-9
4	LD50	2895 mg/kgbw	mouse	Data from publication CAS 119-61-9

 

 

Based on above table, endpoint value was found to vary between 2246.019 to 10000 mg/kg bw which are much higher values. Since the LD50 for target chemical is greater than 2000 mg/kg bw/d which was the criteria for classification towards acute toxicity, it is concluded that the substance 1-(6-methoxy-2-naphthyl) ethan-1-one does not exhibits acute toxicity by the oral route.

Acute toxicity inhalation

For 1-(6-methoxy-2-naphthyl) ethan-1-one, acute toxicity testing by the inhalation route was considered for waiver given that the substance has low vapour pressure of 0.009385895 Pa at 25 degC as well as the particle size distribution indicates that the majority particle size is 600 (57.69%) - 710 (31.19%) micrometer. Thus, exposure by inhalation route is also unlikely for 1-(6-methoxy-2-naphthyl) ethan-1-one given the comparatively larger size of the particulates.

Acute toxicity dermal

Based on studies of readacross across reviewed for acute dermal toxicity from reliable sources having Klimisch rating 2 considering weight of evidence approach

The summary of the results are presented below

 

Sr. No	End point	Value	Species	Remark
1	LD50	>5000 mg/kgbw	Rabbit	Data from publication for CAS NO 93-04-9
2	LD50	3535 mg/kgbw	Rabbit	Data from publication for CAS 119-61-9

Based on the values summarized in above table, it was found that the endpoint values was found to be in the range of 3535 to 5000 mg/kg bw. Thus based on these values and considering the similarity between the target and readacross and it can be concluded that the substance 1-(6-methoxy-2-naphthyl) ethan-1-one does not exhibits acute toxicity by the dermal route as per CLP criteria.

Justification for selection of acute toxicity – oral endpoint

The estimated lethal dose concentration (LD50) of 1-(6-methoxy-2-naphthyl)ethan-1-one for male/female rats using QSAR toolbox version 2.3 is 2246.02 mg/kg bw. 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 toxic via oral route.

Justification for selection of acute toxicity – inhalation endpoint

For 1-(6-methoxy-2-naphthyl) ethan-1-one, acute toxicity testing by the inhalation route was considered for waiver given that the substance has low vapour pressure of  0.009385895 Pa at 25 degC as well as the particle size distribution indicates that the majority particle size is 600 (57.69%) - 710 (31.19%) micrometer. Thus, exposure by inhalation route is also unlikely for 1-(6-methoxy-2-naphthyl) ethan-1-one given the comparatively larger size of the particulates.  

Justification for selection of acute toxicity – dermal endpoint

Acute toxicity of Methyl 2-naphthyl ether to rat by dermal route studied at dose concentration > 5gm/kg (5000mg/kg).This LD50 value indicate that

Methyl 2-naphthyl ether was non toxic to rabbit by dermal route

Justification for classification or non-classification

Based on the above studies it can be concluded the substance 1-(6-methoxy-2-naphthyl)ethan-1-one is toxic by any of the following route (Oral, inhalation dermal) of exposure and hence as per CLP criteria it is considered to be non toxic.