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Description of key information

The substance Eicosanoic acid is not expected to show acute toxicity effect by the oral, inhalation and dermal route.

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:
weight of evidence
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Reference:
Composition 0
Principles of method if other than guideline:
The prediction is done using QSAR toolbox version 3.1
GLP compliance:
no
Test type:
standard acute method
Test material information:
Composition 1
Species:
mouse
Strain:
other: NMRI
Sex:
male/female
Route of administration:
oral: gavage
Vehicle:
unchanged (no vehicle)
Doses:
5000 mg/kg bw - 9800 mg/kg bw
No. of animals per sex per dose:
5
Control animals:
not specified
Sex:
male/female
Dose descriptor:
LD50
Effect level:
8 250 mg/kg bw
Based on:
test mat.
Remarks on result:
other: Non toxic to mouse.





The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Takes average value from the 4 nearest neighbours
Domain  logical expression:Result: In Domain

(((((("a" and ("b" and ( not "c") )  )  and ("d" and ( not "e") )  )  and ("f" and ( not "g") )  )  and "h" )  and "i" )  and ("j" and "k" )  )

Domain logical expression index: "a"

Similarity boundary:Target: C(=O)(O)CCCCCCCCCCCCCCCCCCC
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Direct acylation involving a leaving group OR Acylation >> Direct acylation involving a leaving group >> Acid anhydrides OR Acylation >> Ester aminolysis or thiolysis OR Acylation >> Ester aminolysis or thiolysis >> Activated alkyl or aryl esters OR Michael addition OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group >> alpha,beta-carbonyl compounds with polarized double bonds OR Nucleophilic addition OR Nucleophilic addition >> Addition to Carbon-hetero double/triple bond OR Nucleophilic addition >> Addition to Carbon-hetero double/triple bond >> Ketones OR SN2 OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Activated alkyl esters OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> alpha-haloalkanes OR SN2 >> Nucleophilic substitution on benzylic carbon atom OR SN2 >> Nucleophilic substitution on benzylic carbon atom >> Benzylic esters OR SN2 >> Ring opening SN2 reaction OR SN2 >> Ring opening SN2 reaction >> Epoxides, Aziridines and Sulfuranes by Protein binding by OASIS v1.1

Domain logical expression index: "d"

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

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Michael addition OR Michael addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes >> Polarised alkene - ketones by Protein binding by OECD

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 16 - Oxygen O by Chemical elements

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Group 14 - Metals Sn,Pb OR Group 15 - Nitrogen N OR Group 15 - Phosphorus P OR Group 17 - Halogens Br OR Group 17 - Halogens Cl OR Group 17 - Halogens F OR Group 17 - Halogens F,Cl,Br,I,At by Chemical elements

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Not bioavailable by Lipinski Rule Oasis

Domain logical expression index: "i"

Similarity boundary:Target: C(=O)(O)CCCCCCCCCCCCCCCCCCC
Threshold=60%,
Dice(Atom pairs)

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log Kow which is >= 8.11

Domain logical expression index: "k"

Parametric boundary:The target chemical should have a value of log Kow which is <= 11.4

Interpretation of results:
not classified
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The lethal dose (LD50) of Eicosanoic acid in mouse was found to be 8250 mg/kg of body weight.Toxic effects was not observed. Thus by considering the CLP criteria for acute toxicity rating for the chemicals, it infers that Eicosanoic acid does not exhibit acute toxicity via the oral route i.e it is acutely non toxic to animals within the dose level mentioned in the study.
Executive summary:

The acute toxicity study was conducted to evaluate the toxic effects of administration of Eicosanoic acid to mouse by the oral route. The mouse were given the test substance by the oral route at a dose concentration of 5000 - 9800 mg/kg of Eicosanoic acid.The lethal dose (LD50) of Eicosanoic acid in mouse was found to be 8250 mg/kg of body weight.Toxic effects was not observed. Thus by considering the CLP criteria for acute toxicity rating for the chemicals, it infers that Eicosanoic acid does not exhibit acute toxicity via the oral route i.e it is acutely non toxic to animals within the dose level mentioned in the study.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
8 250 mg/kg bw
Quality of whole database:
The data is K2 level as the data has been obtained from QSAR model considered by OECD.

Acute toxicity: via inhalation route

Link to relevant study records
Reference
Endpoint:
acute toxicity: inhalation
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
other:
Endpoint conclusion
Endpoint conclusion:
no adverse effect observed

Acute toxicity: via dermal route

Link to relevant study records
Reference
Endpoint:
acute toxicity: dermal
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6
Reference:
Composition 0
Principles of method if other than guideline:
The prediction is done using QSAR toolbox version 3.1
GLP compliance:
no
Test type:
standard acute method
Test material information:
Composition 1
Species:
rabbit
Strain:
New Zealand White
Sex:
male/female
Type of coverage:
occlusive
Vehicle:
not specified
Duration of exposure:
24 hours
No. of animals per sex per dose:
5 males and females
Control animals:
not specified
Sex:
male/female
Dose descriptor:
LD50
Effect level:
3 575.76 mg/kg bw
Based on:
test mat.
Remarks on result:
other: Effects not observed.





The prediction was based on dataset comprised from the following descriptors: LD50
Estimation method: Takes average value from the 6 nearest neighbours
Domain  logical expression:Result: In Domain

(("a" and "b" )  and ("c" and "d" )  )

Domain logical expression index: "a"

Similarity boundary:Target: C(=O)(O)CCCCCCCCCCCCCCCCCCC
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Low (Class I) by Toxic hazard classification by Cramer (original)

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is >= 7

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 10.1

Interpretation of results:
not classified
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The lethal dose (LD50) of Eicosanoic acid in New Zealand White rabbit was found to be 3575.76 mg/kg of body weight.Toxic effects was not observed. Thus by considering the CLP criteria for acute toxicity rating for the chemicals, it infers that Eicosanoic acid does not exhibit acute toxicity via the dermal route i.e it is acutely non toxic to animals within the dose level mentioned in the study.
Executive summary:

The acute toxicity study was conducted to evaluate the toxic effects of administration of Eicosanoic acid to New Zealand White rabbit by the dermal route. The lethal dose (LD50) of Eicosanoic acid in rabbit was found to be 3575.76 mg/kg of body weight.Toxic effects was not observed. Thus by considering the CLP criteria for acute toxicity rating for the chemicals, it infers that Eicosanoic acid does not exhibit acute toxicity via the dermal route i.e it is acutely non toxic to animals within the dose level mentioned in the study.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
3 575.76 mg/kg bw
Quality of whole database:
The data is K2 level as the data has been obtained from QSAR model considered by OECD.

Additional information

Acute toxicity: oral

Based on weight of evidence approach no. of studies were reviewed for acute oral toxicity with Klimish rating 2 and 4 for the target and the read across substance for CAS: 506-30-9.

The results are summarized as follows 

Sr.No

Endpoint

Effect values

Species

Sources

1.

LD50

8250 mg/kg bw

Mouse

Predicted data for target CAS :506-30-9

2.

LDL0

4640 mg/kg bw

Rat

Data from publication for RA CAS: 57-11-4

3.

LD50

>2000 mg/kg bw

Rat

Data from study report for RA CAS :112-85-6

4.

LD50

10000 mg/kg bw

Rat

Data from publication for RA CAS :57-10-3

 

Based on the studies summarized in the above table for target substance Eicosanoic acid and the read across substance,the endpoint value was found to vary between lethal dose (LD50) = >2000 mg/kg bw to 10000 mg/kg bw and the Lowest published lethal dose (LDLo) = 4640 mg/kg bw.Toxic effects was not observed. Thus by considering the CLP criteria for acute toxicity rating for the chemicals, it infers that Eicosanoic acid does not exhibit acute toxicity via the oral route i.e it is acutely non toxic to animals within the dose level mentioned in the study.

Acute toxicity: inhalation

This data was considered for waiver considering the low vapour pressure of this chemical (0.0000446 Pa ) as well as the particle size distribution. Majority of the particles were found to be in the size 1000 (65.03%) micrometer in size which is much larger size range compared to the inhalable particulate matter. Thus, exposure to inhalable dust, mist and vapour of the chemical Eicosanoic acid is highly unlikely.

Acute toxicity: dermal

Based on weight of evidence approach no. of studies were reviewed for acute dermal toxicity with Klimish rating 2 and 4 for the target and the read across substance for CAS: 506-30-9.

The results are summarized as follows 

Sr.No

Endpoint

Effect values

Species

Sources

1.

LD50

3575.76 mg/kg bw

Rabbit

Predicted data for target CAS :506-30-9

2.

LD50

>5000 mg/kg bw

Rabbit

Experimental data for RA CAS: 57-11-4

 

Based on the studies summarized in the above table for target substance Eicosanoic acid and the read across substance,the endpoint value was found to vary between lethal dose (LD50) = 3575.76 mg/kg bw to >5000 mg/kg bw.Toxic effects was not observed. Thus by considering the CLP criteria for acute toxicity rating for the chemicals, it infers that Eicosanoic acid does not exhibit acute toxicity via the dermal route i.e it is acutely non toxic to animals within the dose level mentioned in the study.

Justification for selection of acute toxicity – oral endpoint

The acute toxicity study was conducted to evaluate the toxic effects of administration of Eicosanoic acid to mouse by the oral route. The mouse were given the test substance by the oral route at a dose concentration of 5000 - 9800 mg/kg of Eicosanoic acid.The lethal dose (LD50) of Eicosanoic acid in mouse was found to be 8250 mg/kg of body weight.Toxic effects was not observed. Thus by considering the CLP criteria for acute toxicity rating for the chemicals, it infers that Eicosanoic acid does not exhibit acute toxicity via the oral route i.e it is acutely non toxic to animals within the dose level mentioned in the study.

Justification for selection of acute toxicity – inhalation endpoint

This data was considered for waiver considering the low  vapour pressure of this chemical (0.0000446 Pa ) as well as the particle size distribution. Majority of the particles were found to be in the size 1000 (65.03%)  micrometer in size which is much larger size range compared to the inhalable particulate matter. Thus, exposure to inhalable dust, mist and vapour of the chemical Eicosanoic acid is highly unlikely.

Justification for selection of acute toxicity – dermal endpoint

The acute toxicity study was conducted to evaluate the toxic effects of administration of Eicosanoic acid to New Zealand White rabbit by the dermal route. The lethal dose (LD50) of Eicosanoic acid in rabbit was found to be 3575.76 mg/kg of body weight.Toxic effects was not observed. Thus by considering the CLP criteria for acute toxicity rating for the chemicals, it infers that Eicosanoic acid does not exhibit acute toxicity via the dermal route i.e it is acutely non toxic to animals within the dose level mentioned in the study.

Justification for classification or non-classification

Based upon the study results and available information, the substance Eicosanoic acid is not expected to show acute toxicity effect by the oral, inhalation and dermal route and thus will not be considered for further classification.