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Diss Factsheets

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
Reference
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





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

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.

Endpoint conclusion
Endpoint conclusion:
adverse effect observed (irritating)

Eye irritation

Link to relevant study records
Reference
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





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

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.

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.