From the NOAEL and LOAEL values obtained for Eicosanoic acid for toxicity to reproduction as well as developmental toxicity, it is considered that the chemical does not qualify for classification as a reproductive or developmental toxicant.
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Registration Dossier
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EC number: 208-031-3 | CAS number: 506-30-9
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data

Endpoint summary
Administrative data
Key value for chemical safety assessment
Effects on fertility
Link to relevant study records
- Endpoint:
- two-generation reproductive toxicity
- Remarks:
- based on test type (migrated information)
- 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
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.1
- GLP compliance:
- no
- Species:
- rat
- Strain:
- Crj: CD(SD)
- Sex:
- male/female
- Route of administration:
- oral: gavage
- Type of inhalation exposure (if applicable):
- not specified
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- Males, 42 days; Females, from 14 days prior to mating to day 3 of lactation.
- Frequency of treatment:
- Daily
- Control animals:
- not specified
- Clinical signs:
- no effects observed
- Body weight and weight changes:
- no effects observed
- Food consumption and compound intake (if feeding study):
- no effects observed
- Organ weight findings including organ / body weight ratios:
- not specified
- Histopathological findings: non-neoplastic:
- not specified
- Other effects:
- not specified
- Reproductive function: oestrous cycle:
- not specified
- Reproductive function: sperm measures:
- not specified
- Reproductive performance:
- no effects observed
- Dose descriptor:
- NOAEL
- Effect level:
- 370 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: see 'Remark'
- Remarks on result:
- other: not specified
- Critical effects observed:
- not specified
- System:
- other: not specified
- Organ:
- not specified
- Clinical signs:
- not specified
- Mortality / viability:
- not specified
- Body weight and weight changes:
- not specified
- Sexual maturation:
- not specified
- Organ weight findings including organ / body weight ratios:
- not specified
- Gross pathological findings:
- not specified
- Histopathological findings:
- not specified
- Remarks on result:
- not measured/tested
- Reproductive effects observed:
- not specified
- Treatment related:
- not specified
- Conclusions:
- In a two generation reproductive study of Eicosanoic acid to male/female Crj: CD(SD) rat by gavage,no compound related changes were observed in length of gestation period and any parameters during gestation, delivery and lactation. The compound showed no adverse effects on copulation or fertility., body weights,food consumption and clinical signs at a dose level of 370 mg/kg bw/day (nominal). Thus the (No observed adverse effect level) NOAEL for reproductive toxicity study was considered to be 370 mg/kg bw/day (nominal).
- Executive summary:
WoE Summary (Toxicity to reproduction)
The NOAEL for target chemical Eicosanoic acid (CAS No.: 506-30-9) is estimated to be 370 mg/kg bw/day (nominal) for Crj: CD(SD) rat using the toolbox version 3.1. The data is estimated to be based on the data summarized below
CAS no.
End point
Value
Species
Doses
Duration
Effects
Remarks
112-85-6
NOAEL
1000 mg/kg/day
Crj: CD(SD) Rats
0(vehicle), 100, 300, 1,000 mg/kg/day.
Males, 42 days; Females, from 14 days prior to mating to day 3 of lactation.(Two-generation study)
No compound related changes were observed in length of gestation period and any parameters during gestation, delivery and lactation. The compound showed no adverse effects on copulation or fertility., body weights,food consumption and clinical signs.
110-16-7
LOEL
20 mg/kg bw/day
Charles River CD rats
0, 20, 55, and 150 mg/kg
- P/F0: from study initiation to the end of the generation
- F1: at 22 days of age and continued throughout the generation (Premating (Premating exposure period: F0 and F1, a minimum of 80 days) and throughout mating, gestation and lactation)(Two-generation study)
Reduced fertility in males and females, however, neither a dose-related reduction nor a pattern within a generation suggested a treatment-related effect.
110-16-7
NOEL
55 mg/kg/day
Charles River CD rats
0, 20, 55, and 150 mg/kg
- P/F0: from study initiation to the end of the generation
- F1: at 22 days of age and continued throughout the generation (Premating (Premating exposure period: F0 and F1, a minimum of 80 days) and throughout mating, gestation and lactation)(Two-generation study)
No effects observed on clinical signs,mortality,body weight and food consumption and gross pathology.
Based on the studies summarized in the above table it can be observed that the no observed effect value (NOEL and NOAEL) varies from 55 mg/kg/day to 1000 mg/kg/day and low observed effect value (LOEL) was found to be 20 mg/kg bw/day.The effect observed on the above doses are-
* Reduced fertility in males and females, however, neither a dose-related reduction nor a pattern within a generation suggested a treatment-related effect.
*No compound related changes were observed in length of gestation period and any parameters during gestation, delivery and lactation. The compound showed no adverse effects on copulation or fertility., body weights,food consumption and clinical signs.
*No effects observed on clinical signs,mortality, body weight and food consumption and gross pathology.
Thus based on the above results it can be concluded that the estimated value for the target substance (506-30-9) is more closed to the NOAEL value of the read across substance (CAS :112-85-6) which is reported as 1000 mg/kg/day whereas other LOEL and NOEL values are extrapolating from the target value and thus the no observed adverse effect level (NOAEL) for reproductive toxicity study for target substance was considered to be 370 mg/kg bw/day(nominal) when administered by gavage in a two generation study period.At this dose concentration no compound related changes were observed in length of gestation period and any parameters during gestation, delivery and lactation. The compound showed no adverse effects on copulation or fertility., body weights,food consumption and clinical signs.
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOAEL,"NOEL (fertility)"
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((("a"
or "b" or "c" or "d" or "e" or "f" )
and ("g"
and (
not "h")
)
)
and "i" )
and ("j"
and "k" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anionic Surfactants by US-EPA
New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Carboxylic acid by Organic
functional groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Neutral Organics
by Aquatic toxicity classification by ECOSAR ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Carboxylic acid by Organic
functional groups (nested) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Acid, aliphatic attach [-COOH]
AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Carbonyl,
aliphatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O)
AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Carbonic acid derivative AND
Carboxylic acid AND Carboxylic acid derivative by Organic functional
groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
by Estrogen Receptor Binding
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Moderate binder, OH grooup OR
Non binder, impaired OH or NH2 group OR Non binder, MW>500 OR Non
binder, without OH or NH2 group OR Strong binder, NH2 group OR Strong
binder, OH group OR Weak binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Carbonic acid derivative AND
Carboxylic acid AND Carboxylic acid derivative by Organic functional
groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.0443
Domain
logical expression index: "k"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 9.92
Effect on fertility: via oral route
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 370 mg/kg bw/day
- Study duration:
- subchronic
- Species:
- rat
- Quality of whole database:
- The data is K2 level as the data has been obtained from QSAR model considered by OECD.
Effect on fertility: via inhalation route
- Endpoint conclusion:
- no study available
Effect on fertility: via dermal route
- Endpoint conclusion:
- no study available
Additional information
Toxicity to reproduction
WoE Summary of 506-30-9 for toxicity to reproduction
Based on the various studies available with Klimish rating 2 and 4 for the target as well as the read across substances for CAS: 506-30-9 based on the category approach of organic functional group along with similar mechanistic approach and having structural similarities defined by QSAR toolbox. This data is combined with the prediction done using the QSAR toolbox for the target chemical based on similar category approach, the results are summarized as follows
Sr. No |
End point |
Value |
Species |
Route |
Effects |
Remarks |
1 |
NOAEL
|
370 mg/kg bw/day (nominal) |
Rat |
Oral |
No compound related changes were observed in length of gestation period and any parameters during gestation, delivery and lactation. The compound showed no adverse effects on copulation or fertility., body weights,food consumption and clinical signs. |
Predicted data for target chemical (506-30-9) |
2 |
NOAEL
|
1000 mg/kg bw/day |
Rat |
Oral |
No abnormalities were found in all reproductive parameters (fertility index, number of implantations and implantation index) in each dose group as well as no effects on mortality,body weight food consumption and organ weights. |
Experimental data from study report for RA CAS : 112-85-6 |
Based on the studies summarized in the above table it can be observed that the endpoint no effect value (NOAEL) varies from 370 mg/kg bw/day (nominal) to 1000 mg/kg bw/day based on the data from prediction as well as publication for target & read across substance. The effect observed on the above doses are-
· No compound related changes were observed in length of gestation period and any parameters during gestation, delivery and lactation. The compound showed no adverse effects on copulation or fertility., body weights,food consumption and clinical signs.
· No abnormalities were found in all reproductive parameters (fertility index, number of implantations and implantation index) in each dose group as well as no effects on mortality,body weight food consumption and organ weights.
Thus based on the above results it can be concluded that the substance CAS: 506-30-9 is expected to show the similar toxicological effect based on the effects observed on the other category members. Since no effective dose value (NOAEL) is higher than 1000 mg/kg bw/day thus based on this value it can be concluded that substance CAS: 506-30-9 is considered to be not toxic to reproduction at concentration at 1000 mg/kg bw/day or lower. Also there are no known evidence of adverse effect on reproduction to human of CAS: 506-30-9.
Short description of key information:
From the various data available and adopting the weight of evidence approach, it has been concluded that Eicosanoic acid is not likely to have reprotoxic effects.
Justification for selection of Effect on fertility via oral route:
In a two generation reproductive study of Eicosanoic acid to male/female Crj: CD(SD) rat by gavage,no compound related changes were observed in length of gestation period and any parameters during gestation, delivery and lactation. The compound showed no adverse effects on copulation or fertility., body weights,food consumption and clinical signs at a dose level of 370 mg/kg bw/day (nominal). Thus the (No observed adverse effect level) NOAEL for reproductive toxicity study was considered to be 370 mg/kg bw/day (nominal).
Effects on developmental toxicity
Description of key information
From the various data available and adopting the weight of evidence approach, it has been concluded that Eicosanoic acid is not likely to have teratogenic effects.
Link to relevant study records
- Endpoint:
- developmental toxicity
- 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
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.1
- GLP compliance:
- no
- Species:
- rat
- Strain:
- Wistar
- Route of administration:
- oral: gavage
- Type of inhalation exposure (if applicable):
- not specified
- Vehicle:
- not specified
- Analytical verification of doses or concentrations:
- not specified
- Duration of treatment / exposure:
- day 6 - 15 of gestation
- Frequency of treatment:
- daily
- Duration of test:
- upto gestation day 20
- Control animals:
- not specified
- Fetal examinations:
- Fetal weight was examined.
- Details on maternal toxic effects:
- Maternal toxic effects:no data
- Dose descriptor:
- LOEL
- Effect level:
- 720 mg/kg bw/day (nominal)
- Based on:
- test mat.
- Basis for effect level:
- other: developmental toxicity
- Remarks on result:
- other: not specified
- Abnormalities:
- not specified
- Localisation:
- not specified
- Description (incidence and severity):
- not specified
- Details on embryotoxic / teratogenic effects:
- Embryotoxic / teratogenic effects:yes
Details on embryotoxic / teratogenic effects:
Fetal weight decreased. - Dose descriptor:
- other: not specified
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: not specified
- Remarks on result:
- other: not specified
- Abnormalities:
- not specified
- Localisation:
- other: not specified
- Description (incidence and severity):
- not specified
- Developmental effects observed:
- not specified
- Treatment related:
- not specified
- Conclusions:
- In a developmental toxicity study of Eicosanoic acid to wistar rats by gavage at a dose level of 720 mg/kg bw/day (nominal),resulted in a decreased fetal weight. Thus the (lowest observed effect level) LOEL for developmental toxicity study was considered to be 720 mg/kg bw/day (nominal), it is regarded that at concentrations lower than 720 mg/kg bw/day (nominal) there will be no developmental toxic effects when administered orally.
- Executive summary:
WoE Summary (Developmental toxicity)
The NOAEL for target chemical Eicosanoic acid (CAS No.: 506-30-9) is estimated to be 720 mg/kg bw/day(nominal) for Wistar rat using the toolbox version 3.1. The data is estimated to be based on the data summarized below
CAS no.
End point
Value
Species
Doses
Duration
Effects
Remarks
112-85-6
NOAEL
1000 mg/kg/day
Crj: CD(SD) Rat
0(vehicle), 100, 300, 1,000 mg/kg/day
Males, 42 days; Females, from 14 days prior to mating to day 3 of lactation.
No morphological abnormalities in external and visceral observation in pups were observed in any of the treated groups.
149-57-5
LOEL
600 mg/kg/day
Wistar Rats
100 , 300 , 600 mg/kg/day
20 days
Fetal weight decreased.
149-57-5
NOEL
>250 mg/kg bw/day
New Zealand White Rabbit
0, 25, 125 or 250 mg/kg bodyweight/day
Up to gestation day 29
No effects observed.
Based on the studies summarized in the above table it can be observed that the low observed effect value (LOEL) was found to be 600 mg/kg/day and the no observed effect value (NOAEL) varies from >250 mg/kg bw/day to 1000 mg/kg/day.The effect observed on the above doses are-
* Fetal weight decreased.
* No morphological abnormalities in external and visceral observation in pups were observed in any of the treated groups.
Thus based on the above results it can be concluded that the estimated value for the target substance (506-30-9) is more closed to the LOEL value of the read across substance (CAS : 149-57-5) which is reported as 600 mg/kg/day because NOEL values are extrapolating from the target value and thus the low observed effect level (LOEL) for reproductive toxicity study for target substance in a 20 days study period was considered to be 720 mg/kg bw/day(nominal),resulted in decreased fetal weight.
Reference
The
prediction was based on dataset comprised from the following
descriptors: NOAEL,LOEL,NOEL
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a"
or "b" or "c" or "d" or "e" or "f" )
and "g" )
and (("h"
or "i" or "j" or "k" or "l" or "m" )
and ("n"
and (
not "o")
)
)
and (("p"
or "q" or "r" or "s" or "t" or "u" )
and ("v"
and (
not "w")
)
)
)
and "x" )
and "y" )
and ("z"
and "aa" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anionic Surfactants by US-EPA
New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Carboxylic acid by Organic
functional groups ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Neutral Organics
by Aquatic toxicity classification by ECOSAR ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Carboxylic acid by Organic
functional groups (nested) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Acid, aliphatic attach [-COOH]
AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Carbonyl,
aliphatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O)
AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Carbonic acid derivative AND
Carboxylic acid AND Carboxylic acid derivative by Organic functional
groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.1
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Anionic Surfactants by US-EPA
New Chemical Categories
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Carboxylic acid by Organic
functional groups ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Neutral Organics
by Aquatic toxicity classification by ECOSAR ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Carboxylic acid by Organic
functional groups (nested) ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Acid, aliphatic attach [-COOH]
AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Carbonyl,
aliphatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O)
AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
ONLY
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Carbonic acid derivative AND
Carboxylic acid AND Carboxylic acid derivative by Organic functional
groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
by Estrogen Receptor Binding
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Moderate binder, OH grooup OR
Non binder, impaired OH or NH2 group OR Non binder, MW>500 OR Non
binder, without OH or NH2 group OR Strong binder, NH2 group OR Strong
binder, OH group OR Weak binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Anionic Surfactants by US-EPA
New Chemical Categories
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Carboxylic acid by Organic
functional groups ONLY
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Neutral Organics
by Aquatic toxicity classification by ECOSAR ONLY
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as Carboxylic acid by Organic
functional groups (nested) ONLY
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Acid, aliphatic attach [-COOH]
AND Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Carbonyl,
aliphatic attach [-C(=O)-] AND Miscellaneous sulfide (=S) or oxide (=O)
AND Olefinic carbon [=CH- or =C<] by Organic functional groups (US EPA)
ONLY
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Carbonic acid derivative AND
Carboxylic acid AND Carboxylic acid derivative by Organic functional
groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "v"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.1
Domain
logical expression index: "w"
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 >> Direct
acylation involving a leaving group >> Carbamates OR Acylation >> Direct
acylation involving a leaving group >> Diacylperoxides OR Acylation >>
Direct acylation involving a leaving group >> N-acylamides OR Acylation
>> Direct acylation involving a leaving group >> N-acylated
heteroaromatic amines OR Acylation >> Ester aminolysis OR Acylation >>
Ester aminolysis >> Thioesters OR Acylation >> Ester aminolysis or
thiolysis OR Acylation >> Ester aminolysis or thiolysis >> Diarylesters
OR Acylation >> Ring opening acylation OR Acylation >> Ring opening
acylation >> Active cyclic agents OR Ionic OR Ionic >> Electrostatic
interaction of tetraalkylammonium ions with protein carboxylates OR
Ionic >> Electrostatic interaction of tetraalkylammonium ions with
protein carboxylates >> Tetraalkylammonium ions 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 Michael addition >> Michael addition on
conjugated systems with electron withdrawing group >> Nitroalkenes OR
Michael addition >> Michael addition on conjugated systems with electron
withdrawing group >> Vinyl sulfonyl compounds OR Michael addition >>
Michael type addition on vinyl pirydines and activated ethenylarenes OR
Michael addition >> Michael type addition on vinyl pirydines and
activated ethenylarenes >> Activated electrophilic ethenylarenes OR
Michael addition >> Quinone type compounds OR Michael addition >>
Quinone type compounds >> Quinone (di)imines OR Michael addition >>
Quinone type compounds >> Quinones 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 Schiff base formation OR Schiff base formation >>
Nucleophilic cycloaddition to diketones OR Schiff base formation >>
Nucleophilic cycloaddition to diketones >> Diketones OR SN1 OR SN1 >>
Nucleophilic substitution (SN1) on alkyl (aryl) mercury cations OR SN1
>> Nucleophilic substitution (SN1) on alkyl (aryl) mercury cations >>
Mercury compounds OR SN2 OR SN2 >> Interchange reaction with sulphur
containing compounds OR SN2 >> Interchange reaction with sulphur
containing compounds >> Thiols and disulfide compounds OR SN2 >>
Nucleophilic substitution at Nitrogen atom OR SN2 >> Nucleophilic
substitution at Nitrogen atom >> N-oxicarbonyl amides 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 at sp3 Carbon atom >> Phosphates OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom >> Sulfonates OR SN2 >>
Ring opening SN2 reaction OR SN2 >> Ring opening SN2 reaction >>
Epoxides, Aziridines and Sulfuranes OR SN2 Ionic OR SN2 Ionic >>
Nucleophilic substitution at sulfur atom in disulfides OR SN2 Ionic >>
Nucleophilic substitution at sulfur atom in disulfides >> Arenesulfinic
acids OR SNAr OR SNAr >> Nucleophilic aromatic substitution on activated
halogens OR SNAr >> Nucleophilic aromatic substitution on activated
halogens >> Activated haloarenes by Protein binding by OASIS v1.1
Domain
logical expression index: "x"
Referential
boundary: The
target chemical should be classified as Carbonic acid derivative AND
Carboxylic acid AND Carboxylic acid derivative by Organic functional
groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "y"
Similarity
boundary:Target:
C(=O)(O)CCCCCCCCCCCCCCCCCCC
Threshold=50%,
Dice(Atom centered fragments)
Domain
logical expression index: "z"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 2.95
Domain
logical expression index: "aa"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 9.92
Effect on developmental toxicity: via oral route
- Endpoint conclusion:
- no adverse effect observed
- 720 mg/kg bw/day
- Study duration:
- subacute
- Species:
- rat
- Quality of whole database:
- The data is K2 level as the data has been obtained from QSAR model considered by OECD.
Effect on developmental toxicity: via inhalation route
- Endpoint conclusion:
- no study available
Effect on developmental toxicity: via dermal route
- Endpoint conclusion:
- no study available
Additional information
WoE Summary of 506-30-9 for developmental toxicity
Based on the various studies available with Klimish rating 2 and 4 for the target as well as the read across substances for CAS: 506-30-9 based on the category approach of organic functional group along with similar mechanistic approach and having structural similarities defined by QSAR toolbox. This data is combined with the prediction done using the QSAR toolbox for the target chemical based on similar category approach, the results are summarized as follows
Sr. No |
End point |
Value |
Species |
Route |
Effects |
Remarks |
1 |
LOEL (Developmental toxicity) |
720 mg/kg bw/day (nominal) |
Wistar, rat |
Oral(gavage) |
Fetal weight decreased |
Predicted data for target chemical (506-30-9 ) |
2 |
End point not reported (Teratogenicity study) |
- |
Human |
No effects observed. |
Predicted data for target chemical (506-30-9 ) |
|
3 |
NOAEL (fetotoxicity)
|
1000 mg/kg bw/day
|
Crj: CD(SD),Rat |
Oral(gavage) |
No abnormalities were found in all indexes (No. of pups born, No. of pups alive, pups weight, sex ratio,viability etc.) obtained from pups in each dose group.
|
Data from study report for RA CAS : 112-85-6 |
Based on the studies summarized in the above table with various routes it can be observed that the low observed effect level (LOEL) was found to be 720 mg/kg bw/day (nominal) and the no observed effect level (NOAEL) to be 1000 mg/kg bw/day based on the data from prediction as well as publication for target &read across substance. The effect observed on the above doses are-
· Fetal weight decreased.
· No abnormalities were found in all indexes (No. of pups born, No. of pups alive, pups weight, sex ratio,viability etc.) obtained from pups in each dose group.
Thus based on the above results it can be concluded that substance CAS: 506-30-9 is expected to show the similar toxicological effects based on the effects observed on the other category members. Since no effective dose value (NOAEL) is higher than 1000 mg/kg bw/day thus based on this value it can be concluded that substance CAS: 506-30-9 is considered to be not toxic to teratogenic effects at concentration at 1000 mg/kg bw/day or lower.Also there are no known evidence of adverse effect on reproduction to human of CAS: 506-30-9.
Justification for selection of Effect on developmental toxicity: via oral route:
In a developmental toxicity study of Eicosanoic acid to wistar rats by gavage at a dose level of 720 mg/kg bw/day (nominal),resulted in a decreased fetal weight. Thus the (lowest observed effect level) LOEL for developmental toxicity study was considered to be 720 mg/kg bw/day (nominal), it is regarded that at concentrations lower than 720 mg/kg bw/day (nominal) there will be no developmental toxic effects when administered orally.
Justification for classification or non-classification
Additional information
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