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EC number: 218-827-2 | CAS number: 2244-16-8
Repeated dose toxicity: inhalation
Administrative data
- Endpoint:
- repeated dose toxicity: inhalation
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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 limited documentation / justification
- Justification for type of information:
- Data is from OECD QSAR Toolbox version 3.3 and the supporting QMRF report has been attached
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- [R]: 2.36E3 mg/L air; Estimation for study NOEL for CAS 2244-16-8
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 018
- Bibliographic source:
- OECD QSAR Toolbox version 3.3, 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Refer below principle
- Principles of method if other than guideline:
- Prediction is done using OECD QSAR Toolbox version 3.3, 2018
- GLP compliance:
- not specified
- Limit test:
- no
Test material
- Reference substance name:
- (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
- Cas Number:
- 2244-16-8
- Molecular formula:
- C10H14O
- IUPAC Name:
- (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one
- Details on test material:
- - Name of test material: D-Carvone- IUPAC name: (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one- Molecular formula: C10H14O- Molecular weight: 150.22 g/mol- Substance type: Organic
Constituent 1
- Specific details on test material used for the study:
- - Name of test material: D-Carvone- IUPAC name: (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one- Molecular formula: C10H14O- Molecular weight: 150.22 g/mol- Substance type: Organic
Test animals
- Species:
- rat
- Strain:
- Wistar
- Details on species / strain selection:
- No data
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- No data
Administration / exposure
- Route of administration:
- inhalation
- Type of inhalation exposure:
- not specified
- Vehicle:
- not specified
- Remarks on MMAD:
- No data
- Details on inhalation exposure:
- No data
- Analytical verification of doses or concentrations:
- not specified
- Details on analytical verification of doses or concentrations:
- No data
- Duration of treatment / exposure:
- 90 days
- Frequency of treatment:
- 6 hours per workday
Doses / concentrations
- Remarks:
- No data
- No. of animals per sex per dose:
- No data
- Control animals:
- not specified
- Details on study design:
- No data
- Positive control:
- No data
Examinations
- Observations and examinations performed and frequency:
- No data
- Sacrifice and pathology:
- No data
- Other examinations:
- No data
- Statistics:
- No data
Results and discussion
Results of examinations
- Clinical signs:
- not specified
- Mortality:
- not specified
- Body weight and weight changes:
- not specified
- Food consumption and compound intake (if feeding study):
- not specified
- Food efficiency:
- not specified
- Water consumption and compound intake (if drinking water study):
- not specified
- Ophthalmological findings:
- not specified
- Haematological findings:
- not specified
- Clinical biochemistry findings:
- not specified
- Urinalysis findings:
- not specified
- Behaviour (functional findings):
- not specified
- Immunological findings:
- not specified
- Organ weight findings including organ / body weight ratios:
- not specified
- Gross pathological findings:
- not specified
- Neuropathological findings:
- not specified
- Histopathological findings: non-neoplastic:
- not specified
- Histopathological findings: neoplastic:
- not specified
- Other effects:
- not specified
Effect levels
- Dose descriptor:
- NOAEC
- Effect level:
- 2 364.871 mg/L air
- Based on:
- test mat.
- Sex:
- male/female
- Basis for effect level:
- other: No significant alterations were noted at the mentioned dose level
Target system / organ toxicity
- Critical effects observed:
- not specified
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: "study NOEL"
Estimation method: Takes average value from the 8 nearest neighbours
Domain logical expression:Result: In Domain
((((((("a" or "b" or "c" ) and ("d" and ( not "e") ) ) and ("f" and ( not "g") ) ) and "h" ) and "i" ) and "j" ) and ("k" and "l" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] OR Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Carbonyl, aliphatic attach [-C(=O)-] OR Carbonyl, olefinic attach [-C(=O)-] OR Miscellaneous sulfide (=S) or oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Olefinic carbon [=CH2] OR Tertiary Carbon by Organic functional groups (US EPA) ONLY
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as Allyl OR Cycloalkene OR Cycloketone OR Overlapping groups by Organic Functional groups (nested) ONLY
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Alkene OR Allyl OR Cycloalkene OR Cycloketone by Organic Functional groups ONLY
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as No alert found by DNA binding by OASIS v.1.3
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as AN2 OR AN2 >> Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds OR AN2 >> Nucleophilic addition to alpha, beta-unsaturated carbonyl compounds >> alpha, beta-Unsaturated Aldehydes OR AN2 >> Schiff base formation OR AN2 >> Schiff base formation >> alpha, beta-Unsaturated Aldehydes OR SN2 OR SN2 >> Alkylation, direct acting epoxides and related OR SN2 >> Alkylation, direct acting epoxides and related >> Epoxides and Aziridines by DNA binding by OASIS v.1.3
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Michael Addition AND Michael Addition >> Michael addition on conjugated systems with electron withdrawing group AND Michael Addition >> Michael addition on conjugated systems with electron withdrawing group >> alpha,beta-Carbonyl compounds with polarized double bonds by Protein binding by OASIS v1.3
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Schiff base formation >> Schiff base formation with carbonyl compounds by Protein binding by OASIS v1.3
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as Alkene AND Allyl AND Cycloalkene AND Cycloketone by Organic Functional groups ONLY
Domain logical expression index: "i"
Referential boundary: The target chemical should be classified as Alkene AND Allyl AND Cycloalkene AND Cycloketone by Organic Functional groups ONLY
Domain logical expression index: "j"
Referential boundary: The target chemical should be classified as Alkene AND Allyl AND Cycloalkene AND Cycloketone by Organic Functional groups ONLY
Domain logical expression index: "k"
Parametric boundary:The target chemical should have a value of log Kow which is >= 1.27
Domain logical expression index: "l"
Parametric boundary:The target chemical should have a value of log Kow which is <= 3.78
Applicant's summary and conclusion
- Conclusions:
- The No Observed Adverse Effect Concentration (NOAEC) for d-carvone is predicted to be 2364.870605469 mg/L.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, repeated dose toxicity was predicted for d-carvone. The study assumed the use of male and female Wistar rats in a 90 days toxicity study. Since no significant treatment related effects were observed at the mentioned dose level, hence the No Observed Adverse Effect Concentration (NOAEC) for d-carvone is predicted to be 2364.870605469 mg/L.
Based on this value it can be concluded that the substance is considered to not toxic as per the criteria mentioned in CLP regulation.
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