2-tert-butyl-4-methoxyphenol

Endpoint summary

Description of key information

The substance is not classified as irritating to skin and eye.

Key value for chemical safety assessment

Skin irritation / corrosion

Link to relevant study records

Reference

Endpoint:

skin irritation: in vivo

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Qualifier:

according to guideline

Guideline:

other:

Principles of method if other than guideline:

Multicase model

GLP compliance:

no

Species:

other: no data

Strain:

not specified

Type of coverage:

not specified

Preparation of test site:

not specified

Vehicle:

not specified

Controls:

not specified

Irritation parameter:

overall irritation score

Basis:

mean

Reversibility:

no data

Remarks on result:

other: Skin irritation: negative i.e; non-irritating

Interpretation of results:

not irritating

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

Tert-butyl-4-methoxyphenol gives negative result i.e. not irritating to skin as estimated by the Multicase model from Danish QSAR .

Executive summary:

Tert-butyl-4-methoxyphenol gives negative result i.e. not irritating to skin as estimated by the Multicase model from Danish QSAR .

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not 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:

Principles of method if other than guideline:

Data is from QSAR toolbox Version 2.3

GLP compliance:

not specified

Species:

rabbit

Strain:

not specified

Vehicle:

not specified

Controls:

not specified

Irritation parameter:

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

Basis:

mean

Score:

0.94

Reversibility:

not specified

Remarks on result:

other: non irritating

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)(C)(C)c1c(O)ccc(OC)c1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: C(C)(C)(C)c1c(O)ccc(OC)c1
Threshold=80%,
Dice(Atom pairs)

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is >= 2.56

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 4.22

Interpretation of results:

not irritating

Remarks:

Migrated information 0.94 Criteria used for interpretation of results: EU

Conclusions:

By Modified maximum average score (MMAS) from prediction done using QSAR toolbox for eye irritation score of tert-butyl-4-methoxyphenol estimated as 0.94. This score indicates that tert-butyl-4-methoxyphenol is not irritating to the eye of rabbit.(as the criteria MMAS <25 is not irritating).

Executive summary:

By Modified maximum average score (MMAS) from prediction done using QSAR toolbox for eye irritation score of tert-butyl-4-methoxyphenol estimated as 0.94. This score indicates that tert-butyl-4-methoxyphenol is not irritating to the eye of rabbit.(as the criteria MMAS <25 is not irritating).

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not irritating)

Respiratory irritation

Endpoint conclusion

Endpoint conclusion:

no study available

Additional information

Skin irritation / corrosion :

Tert-butyl-4-methoxyphenol gives negative result i.e. not irritating to skin as estimated by the Multicase model from Danish QSAR .

The other authoritative supporting sources of information indicates that tert-butyl-4-methoxyphenol exhibit moderate skin irritant effect when applied on rabbit skin. However, for the purpose of the chemical safety report the experimental value will be considered.

Eye irritation :

By Modified maximum average score (MMAS) from prediction done using QSAR toolbox for eye irritation score of tert-butyl-4-methoxyphenol estimated as 0.94. This score indicates that tert-butyl-4-methoxyphenol is not irritating to the eye of rabbit.(as the criteria MMAS <25 is not irritating).

Justification for selection of skin irritation / corrosion endpoint:
Tert-butyl-4-methoxyphenol gives negative result i.e. not irritating to skin as estimated by the Multicase model from Danish QSAR .

Justification for selection of eye irritation endpoint:
By Modified maximum average score (MMAS) from prediction done using QSAR toolbox for eye irritation score of tert-butyl-4-methoxyphenol estimated as 0.94. This score indicates that tert-butyl-4-methoxyphenol is not irritating to the eye of rabbit.(as the criteria MMAS <25 is not irritating).