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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Description of key information

The final Acute Oral Toxicity (Oral Rat LD50) predicted for the mixture of Methyl Linolenate, Methyl linoleate and Methyl oleate assigned by the study investigator is 4500 mg/kg bw. The prediction associated with the worst case among the three constituents was assigned to the mixture.

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records
Reference
Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2019
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
Qualifier:
according to guideline
Guideline:
other: REACH Guidance on QSARs R.- (QSPR model adapted specifically from OECD test guideline 401)
Principles of method if other than guideline:
The purpose of the in silico study was to predict the Acute Oral Toxicity of the test item - multiconstituent containing Methyl Linolenate, Methyl linoleate and Methyl oleate. This prediction was performed using the Danish QSAR Database and the ACDLabs model for Acute Oral toxicity in Rats.
Test type:
other: QSAR prediction value
Specific details on test material used for the study:
SMILES:
* Methyl Linolenate: O=C(OC)CCCCCCCC=CCC=CCC=CCC
* Methyl Linoleate: O=C(OC)CCCCCCCC=CCC=CCCCCC
* Methyl oleate: O=C(OC)CCCCCCCC=CCCCCCCCC
Species:
rat
Strain:
not specified
Sex:
not specified
Details on test animals or test system and environmental conditions:
QSAR predicted value with Danish QSAR Database
Route of administration:
other: QSAR predicted value
Vehicle:
other: QSAR predicted value
Key result
Sex:
not specified
Dose descriptor:
LD50
Effect level:
ca. 4 500 mg/kg bw
Based on:
not specified
Remarks on result:
other: Mixture
Remarks:
QSAR predicted value
Key result
Sex:
not specified
Dose descriptor:
LD50
Effect level:
ca. 6 000 mg/kg bw
Based on:
not specified
Remarks on result:
other: Methyl Linolenate
Remarks:
QSAR predicted value
Key result
Sex:
not specified
Dose descriptor:
LD50
Effect level:
ca. 4 500 mg/kg bw
Based on:
not specified
Remarks on result:
other: Methyl Linoleate
Remarks:
QSAR predicted value
Key result
Sex:
not specified
Dose descriptor:
LD50
Effect level:
ca. 12 000 mg/kg bw
Based on:
not specified
Remarks on result:
other: Methyl oleate
Remarks:
QSAR predicted value
Interpretation of results:
GHS criteria not met
Conclusions:
The final Acute Oral Toxicity (Oral Rat LD50) predicted for the mixture of Methyl Linolenate, Methyl linoleate and Methyl oleate assigned by the study investigator is 4500 mg/kg bw. The prediction associated with the worst case among the three constituents was assigned to the mixture.
Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
4 500 mg/kg bw

Additional information

Justification for classification or non-classification