2-(2-chloroethoxy)ethanol

Endpoint summary

Description of key information

The substance (2-chloroethoxy)ethanol was found to be slightly irritating to skin and moderately irritating to eyes.

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:

key study

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 QSAR Toolbox version 2.3

GLP compliance:

no

Species:

rabbit

Type of coverage:

other: Open;no data

Controls:

not specified

Irritation parameter:

primary dermal irritation index (PDII)

Basis:

mean

Score:

1.07

Reversibility:

no data

Remarks on result:

other: Slightly 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 ( not "d") ) ) and ("e" and "f" ) )

Domain logical expression index: "a"

Similarity boundary:Target: C(Cl)COCCO
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: C(Cl)COCCO
Threshold=60%,
Dice(Atom pairs)

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as alpha,beta-carbonyl compounds with polarized double bonds OR MA: Michael addition on conjugated systems with electron withdrawing group OR Mechanistic Domain: Michael addition by Protein binding by OASIS

Domain logical expression index: "e"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.908

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.568

Interpretation of results:

slightly irritating

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

By primary dermal irritation index (PDII) from QSAR, skin irritation score of 2-(2-chloroethoxy)ethanol was estimated as 1.07.Based on this score 2-(2-chloroethoxy)ethanol was found to be slightly irritating to the rabbit skin

Executive summary:

By primary dermal irritation index (PDII) from QSAR, skin irritation score of 2-(2-chloroethoxy)ethanol was estimated as 1.07. Based on this score 2-(2-chloroethoxy)ethanol was found to be slightly irritating to the rabbit skin and thus we be considered for skin irritation in category 2.

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:

key study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

according to guideline

Guideline:

other: estimation data

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 2.3

GLP compliance:

no

Species:

rabbit

Strain:

other: unspecified

Vehicle:

unchanged (no vehicle)

Irritation parameter:

other: MMAS(modified maximum average score (MMAS))

Basis:

mean

Max. score:

27

Reversibility:

not reversible

Remarks on result:

other: Slightly irritant to eye

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" ) )

Domain logical expression index: "a"

Similarity boundary:Target: C(Cl)COCCO
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Parametric boundary:The target chemical should have a value of log Kow which is >= -0.623

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is <= 0.454

Interpretation of results:

Category II

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

By MMAS(modified maximum average score (MMAS)) from QSAR, eye irritation score of 2-(2-chloroethoxy)ethanolwas estimated as 27. Based on this score 2-(2-chloroethoxy)ethanol was found to be irritating to the eye of rabbit.

Executive summary:

By MMAS(modified maximum average score (MMAS)) from QSAR, eye irritation score of 2-(2-chloroethoxy) ethanol was estimated as 27. Based on this score 2-(2-chloroethoxy)ethanol was found to be irritating to the eye of rabbit. Since the MMAS value is more than 25 so we cannot classify the substance as slightly irritating to eye and thus will have to place the substance to next level of classification in irritation category which as per the regulation is eye irritant in category 2 level.

Endpoint conclusion

Endpoint conclusion:

adverse effect observed (irritating)

Respiratory irritation

Endpoint conclusion

Endpoint conclusion:

no study available

Additional information

Skin Irritation :

By primary dermal irritation index (PDII) from QSAR, skin irritation score of 2-(2-chloroethoxy)ethanol was estimated as 1.07.Based on this score 2-(2-chloroethoxy)ethanol was found to be slightly irritating to the rabbit skin. The irritation effect has also been supported by other studies from SAX and RTECS database which also indicate irritation effect on skin. The read across substance, which has 90% similarity also indicates irritation effect on skin.

Eye Irritation :

By MMAS(modified maximum average score (MMAS)) from QSAR, eye irritation score of 2-(2-chloroethoxy) ethanol was estimated as 27. Based on this score 2-(2-chloroethoxy)ethanol was found to be irritating to the eye of rabbit. Since the MMAS value is more than 25 so we cannot classify the substance as slightly irritating to eye and thus will have to place the substance to next level of classification in irritation category which as per the regulation is eye irritant in category 2 level.

Justification for selection of skin irritation / corrosion endpoint:

By primary dermal irritation index (PDII) from QSAR, skin irritation score of 2-(2-chloroethoxy)ethanol was estimated as 1.07.Based on this score 2-(2-chloroethoxy)ethanol was found to be slightly irritating to the rabbit skin

Justification for selection of eye irritation endpoint:

By MMAS(modified maximum average score (MMAS)) from QSAR, eye irritation score of 2-(2-chloroethoxy) ethanol was estimated as 27. Based on this score 2-(2-chloroethoxy)ethanol was found to be irritating to the eye of rabbit. Since the MMAS value is more than 25 so we cannot classify the substance as slightly irritating to eye and thus will have to place the substance to next level of classification in irritation category which as per the regulation is eye irritant in category 2 level.

Effects on skin irritation/corrosion: slightly irritating

Effects on eye irritation: moderately irritating

Justification for classification or non-classification

The available studies indicate that (2-chloroethoxy)ethanol is irritant to skin in category 2, according to CLP regulation. Regarding the eye irritation classification the irritation effect is moderate and so the substance will have the classification in category 2 as per the C & L regulation.

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