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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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_toxicological-information.png)
Endpoint summary
Administrative data
Description of key information
The substance Eicosanoic acid was found to be irritating in skin and eye category.
Key value for chemical safety assessment
Skin irritation / corrosion
Link to relevant study records
- Endpoint:
- skin irritation: in vivo
- 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:
- The prediction is done using QSAR Toolbox Version 3.1
- GLP compliance:
- no
- Species:
- rabbit
- Strain:
- not specified
- Type of coverage:
- occlusive
- Preparation of test site:
- not specified
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Irritation parameter:
- other: Primary irritation index(PII)
- Basis:
- mean
- Score:
- 1.62
- Reversibility:
- no data
- Remarks on result:
- other: Slightly irritating to the skin of rabbit.
- Interpretation of results:
- slightly irritating
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- By primary irritation index (PII) from QSAR, skin irritation score of Eicosanoic acid was estimated to be 1.62.Based on this score it infers that the substance Eicosanoic acid was found to be slightly irritating to the skin of rabbit.
- Executive summary:
By primary irritation index (PII) from QSAR, skin irritation score of Eicosanoic acid was estimated to be 1.62.Based on this score it infers that the substance Eicosanoic acid was found to be slightly irritating to the skin of rabbit.
Reference
The prediction was based on dataset comprised from the following descriptors: "Primary Irritation Index"
Estimation method: Takes average value from the 3 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a" and ("b" and ( not "c") ) ) and ("d" and ( not "e") ) ) and "f" ) and ("g" and ( not "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 Michael addition OR Michael addition >> a,b-unsaturated carbonyl compounds OR Michael addition >> a,b-unsaturated carbonyl compounds >> a,b-unsatuarted aldehydes 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 Schiff base formation OR Schiff base formation >> Schiff base formation with carbonyl compounds OR Schiff base formation >> Schiff base formation with carbonyl compounds >> Aldehydes 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 on benzylic carbon atom OR SN2 >> Nucleophilic substitution on benzylic carbon atom >> Benzylic esters OR SN2 >> Nucleophilic substitution on heterocyclic sulfenamides OR SN2 >> Nucleophilic substitution on heterocyclic sulfenamides >> Heterocyclic sulfenamides 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 Acylation OR Acylation >> Direct Acylation Involving a Leaving group OR Acylation >> Direct Acylation Involving a Leaving group >> Acetates OR 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 Low (Class I) by Toxic hazard classification by Cramer (with extensions)
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as No alert found by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as Phtalate (or buthyl) diesters and monoesters (Nongenotox) OR Structural alert for nongenotoxic carcinogenicity OR Substituted n-alkylcarboxylic acids (Nongenotox) by Carcinogenicity (genotox and nongenotox) alerts by ISS
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 logP Multicase which is >= 9.11
Domain logical expression index: "k"
Parametric boundary:The target chemical should have a value of logP Multicase which is <= 9.53
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Eye irritation
Link to relevant study records
- Endpoint:
- eye irritation: in vivo
- 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:
- The prediction is done using QSAR Toolbox Version 3.1
- GLP compliance:
- no
- Species:
- rabbit
- Strain:
- not specified
- Vehicle:
- unchanged (no vehicle)
- Controls:
- not specified
- Duration of treatment / exposure:
- 1 day
- Number of animals or in vitro replicates:
- 3-6
- Irritation parameter:
- other: The Modified Maximum Average Score (MMAS)
- Basis:
- mean
- Time point:
- other: 1 day
- Score:
- 33.4
- Reversibility:
- not specified
- Remarks on result:
- other: Slightly irritating to the eyes of rabbit.
- Interpretation of results:
- slightly irritating
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- By the method of MMAS (The modified maximum average score) from QSAR,eye irritation score of Eicosanoic acid was estimated to be 33.4. On the basis of this score it infers that Eicosanoic acid showed slight irritation effect to the eyes of rabbit.(as the criteria MMAS >25 to ≤59 is irritating).
- Executive summary:
By the method of MMAS (The modified maximum average score) from QSAR,eye irritation score of Eicosanoic acid was estimated to be 33.4. On the basis of this score it infers that Eicosanoic acid showed slight irritation effect to the eyes of rabbit.(as the criteria MMAS >25 to ≤59 is irritating).
Reference
The prediction was based on dataset comprised from the following descriptors: MMAS
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" ) )
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 OECD
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 >> Acetates OR Michael addition OR Michael addition >> Polarised Alkenes OR Michael addition >> Polarised Alkenes >> Polarised alkene - esters OR SN2 OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Allyl acetates and related chemicals by Protein binding by OECD
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as No alert found by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Halogenated benzene (Nongenotox) OR Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox) OR Structural alert for nongenotoxic carcinogenicity OR Structural alerts for both genotoxic and nongenotoxic carcinogenicity OR Substituted n-alkylcarboxylic acids (Nongenotox) by Carcinogenicity (genotox and nongenotox) alerts by ISS
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Not classified by Oncologic Primary Classification
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Organophosphorus Type Compounds by Oncologic Primary Classification
Domain logical expression index: "h"
Parametric boundary:The target chemical should have a value of logP Multicase which is >= 8.23
Domain logical expression index: "i"
Parametric boundary:The target chemical should have a value of logP Multicase which is <= 10.1
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed (irritating)
Respiratory irritation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Skin irritation
No.of various studies were reviewed for skin irritation with Klimish rating 2 & 4 for the target as well as the read across substances for CAS: 506-30-9 considering the weight of evidence approach.
The results for target substance as well as analogues are summarized as follows
Sr. No |
Irritation Parameter |
Species |
Interpretation of results |
Conclusions |
Sources |
1 |
Primary irritation index (PII) |
Rabbit |
Slightly irritating |
By primary irritation index (PII) from QSAR, skin irritation score of Eicosanoic acid was estimated to be 1.62.Based on this score it infers that the substance Eicosanoic acid was found to be slightly irritating to the skin of rabbit. |
Predicted data for target CAS:506-30-9 |
2 |
Overall irritation score |
Human |
Mildly Irritating |
Skin irritation tests performed by the method of Standard Draize test,75 mg of Stearic acid applied to the skin of human subjects for 3 days where the dosage of stearic acid was given intermittently, resulted in a mild irritation effect." The substance Stearic acid is thus considered "mildly irritating." |
Experimental data from Cutaneous Toxicity for RA CAS : 57-11-4 |
3 |
Overall irritation score |
Rabbit |
Moderately irritating |
Skin irritation tests performed by the method of Standard Draize test,500 mg of Stearic acid applied to the skin of rabbit for 24 hrs,resulted in a moderate irritation effect." The substance Stearic acid is thus considered "moderately irritating." |
Experimental data from Food and Cosmetics Toxicology for RA CAS : 57-11-4 |
4 |
Overall irritation score |
Human |
Moderately irritating |
Skin irritation tests performed by the method of Standard Draize test,75 mg of Myristic acid applied to the skin of human subjects for 3 days where the dosage of myristic acid was given intermittently, resulted in a moderate irritation effect." The substance myristic acid is thus considered "moderately irritating." |
Experimental data from Cutaneous Toxicity for RA CAS : 544-63-8 |
Based on the above results it can be concluded that substance CAS: 506-30-9 is expected to show the similar toxicological effect based on the effects observed on the other category members. Thus it is concluded that the substance Eicosanoic acid was found to be irritating (slight/ mild - moderate) to the skin of human subjects and rabbits.Based on these results it can be concluded that Eicosanoic acid is classified as a skin irritant in category 2 as per the CLP regulation.
Eye irritation
No.of various studies were reviewed for eye irritation with Klimish rating 2 for the target as well as the read across substances for CAS: 506-30-9 considering the weight of evidence approach.
The results for target substance as well as analogues are summarized as follows
Sr.No |
Irritation Parameter |
Species |
Interpretation of results |
Conclusions |
Sources |
1 |
The Modified Maximum Average Score (MMAS) |
Rabbit |
Slightly irritating |
By the method of MMAS (The modified maximum average score) from QSAR,eye irritation score of Eicosanoic acid was estimated to be 33.4. On the basis of this score it infers that Eicosanoic acid showed slight irritation effect to the eyes of rabbit.(as the criteria MMAS >25 to ≤59 is irritating). |
Predicted data from QSAR for target CAS :506-30-9 |
2 |
Overall irritation score |
Rabbit |
Mildly irritating |
Eye irritation tests performed by the method of Standard Draize test,100 mg of Myristic acid applied to the eyes of rabbits,resulted in a mild irritation effect." The substance Myristic acid is thus considered "mildly irritating." |
Experimental data from Journal of the American College of Toxicology for RA CAS : 544-63-8 |
Based on the above results it can be concluded that substance CAS: 506-30-9 is expected to show the similar toxicological effect based on the effects observed on the other category members.Thus it is concluded that the substance Eicosanoic acid was found to be irritating (slight to mild) to the eyes of rabbit. Based on these results it can be concluded that Eicosanoic acid is classified as an eye irritant in category 2 as per the CLP regulation.
Justification for selection of skin irritation / corrosion endpoint:
By primary irritation index (PII) from QSAR, skin irritation score of Eicosanoic acid was estimated to be 1.62.Based on this score it infers that the substance Eicosanoic acid was found to be slightly irritating to the skin of rabbit.
Justification for selection of eye irritation endpoint:
By the method of MMAS (The modified maximum average score) from QSAR,eye irritation score of Eicosanoic acid was estimated to be 33.4. On the basis of this score it infers that Eicosanoic acid showed slight irritation effect to the eyes of rabbit.(as the criteria MMAS >25 to <59 is irritating).
Effects on skin irritation/corrosion: slightly irritating
Effects on eye irritation: slightly irritating
Justification for classification or non-classification
The available studies indicate that the substance Eicosanoic acid is classified as a skin and eye irritant according to CLP regulation.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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