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Toxicological information

Eye irritation

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Administrative data

Endpoint:
eye irritation: in vivo
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE and Model
OECD QSAR ToolBox 4.2

2. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : O(c(ccc(O)c1)c1)c(cccc2)c2
NAME : Phenol, 4-phenoxy-
CAS Number : 831-82-3

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL AND APPLCABILITY DOMAIN
See https://www.qsartoolbox.org/

5. ADEQUACY OF THE RESULT
The MMAS value is used for the CLP classification after comparison with substances with the same MMAS range

Data source

Reference
Reference Type:
other: Model
Title:
QSAR Toolbox 4.2
Year:
2018
Bibliographic source:
Organisation for Economic Co-operation and Development & European Chemicals Agency

Materials and methods

Test guideline
Guideline:
other: REACH guidance on QSARs R.6
Principles of method if other than guideline:
- Software tool(s) used including version: QSAR Toolbox 4.2
- Model description: see field 'Justification for type of information"
- Justification of QSAR prediction: see field 'Attached justification'
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Specific details on test material used for the study:
SMILES : O(c(ccc(O)c1)c1)c(cccc2)c2

Test animals / tissue source

Species:
rabbit

Results and discussion

In vivo

Resultsopen allclose all
Irritation parameter:
other: MMAS
Basis:
mean
Time point:
24/48/72 h
Score:
ca. 37.6
Remarks on result:
other: QSAR predicted value
Irritation parameter:
other: MMAS
Basis:
mean
Score:
> 14.1 - < 61.1
Remarks on result:
other: QSAR predicted value

Any other information on results incl. tables

QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a MMAS (Modified Maximum Average Score) equal of 37.6

Applicant's summary and conclusion

Interpretation of results:
Category 2 (irritating to eyes) based on GHS criteria
Conclusions:
QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a MMAS (Modified Maximum Average Score) equal of 37.6.
From some of the statistical analyses (ECETOC TRA, Report n°48 - June 1998), The MMAS were divided into three categories:
- MMAS <25; no/mild irritation
- 25≤ MMAS <59; moderate irritation
- MMAS ≥59; and strong irritant
And on the basis of ECETOC TRA, Report n°48, all the substances that have a MMAS range betwwen 30-40 are classified H319 (irritating to eyes).
4-Phenoxyphenol is a moderate irritant classified H319 (Category 2 - Irritating to eyes)
Executive summary:

QSAR Toolbox 4.2 predicted that 4 -Phenoxyphenol has a MMAS (Modified Maximum Average Score) equal of 37.6.

From some of the statistical analyses (ECETOC TRA, Report n°48 - June 1998), The MMAS were divided  into  three  categories:  

  • MMAS <25; no/mild  irritation
  • 25≤ MMAS <59; moderate irritation
  • MMAS ≥59; and strong irritant

And on the basis of ECETOC TRA, Report n°48, all the substances that have a MMAS range betwwen 30-40 are classified H319 (irritating to eyes).

4-Phenoxyphenol is a moderate irritant classified H319 (Category 2 - Irritating to eyes)