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Toxicological information

Acute Toxicity: oral

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Administrative data

Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
March, 2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
See attached QPRF and QMRF documents.

Data source

Reference
Reference Type:
other: QSAR
Title:
Commercial ACD/Labs model for acute toxicity (LD50) in rats, oral administration, Danish QSAR Group at DTU Food version 2.95.1
Author:
Advanced Chemistry Development Inc. (http://www.acdlabs.com/home/)
Year:
2010
Bibliographic source:
Sazonovas, A., Japertas, P., and Didziapetris, R. (2010) Estimation of reliability of predictions and model applicability domain evaluation in the analysis of acute toxicity (LD50). SAR and QSAR in Environmental Research, 21:1-2, 127-148.

Materials and methods

Test guideline
Qualifier:
equivalent or similar to
Guideline:
other: QSAR models predicts acute toxicity consistent with OECD 401 Acute Oral Toxicity
Version / remarks:
Use of QSAR model is consistent with ECHA "Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals".
Principles of method if other than guideline:
Use of QSAR model is consistent with ECHA "Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals".

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
semi-solid (amorphous): gel
Details on test material:
Identification: [ω-hydroxy-C16 (saturated and unsaturated) and C16 (unsaturated)] fatty acids
Appearance: Brown semi-solid gel (at 20°C)

Results and discussion

Effect levels
Key result
Sex:
not specified
Dose descriptor:
LD50
Effect level:
> 2 000 mg/kg bw
Based on:
other: seven UVCB constituents
Remarks on result:
not measured/tested

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Remarks:
Not classified according to Regulation (EC) No 1272/2008
Conclusions:
All seven of the UVCB constituents present in the Danish (Q)SAR database are predicted to have LD50 values ≥3900 mg/kg bodyweight in rats via oral administration. The acute toxicity of [ω-hydroxy-C16 (saturated and unsaturated) and C16 (unsaturated)] fatty acids to rats via the oral route is > 2000 mg/kg bodyweight.
Executive summary:

The acute toxicity of [ω-hydroxy-C16 (saturated and unsaturated) and C16 (unsaturated)] fatty acids to rats via the oral route of administration was predicted using the Commercial ACD/Labs model for acute toxicity. Acute toxicity was predicted for seven (7) individual components of the substance. These components, along with water, comprise ca. 98% of the quantified constituents and ca. 78% of the total UVCB composition. All of the predicted LD50 values are greater than 2000 mg/kg bodyweight, which is the minimum concentration for acute oral toxicity classification according to Regulation (EC) No 1272/2008 on classification, labelling and packaging (CLP) of substances and mixtures. Although three of the Reliability Index values for these predictions were below 0.5, the lowest LD50 prediction of 3900 mg/kg is still nearly twice the classification threshold. This affords a wide margin for error in the prediction before any single constituent could be classifiable as acutely toxic under GHS or CLP guidelines. The relatively high predicted LD50 values provides sufficient weight of evidence to adequately assess the acute toxicity of the UVCB substance to rats via the oral route of administration.