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EC number: 232-384-2 | CAS number: 8012-95-1 Liquid hydrocarbons from petroleum.
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- genetic toxicity in vitro
- Remarks:
- Type of genotoxicity: other: QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Regulatory accepted model for assessment of chemical substances
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 010
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- Principles of method if other than guideline:
- QSAR
- GLP compliance:
- no
- Remarks:
- not applicable to QSAR models
- Type of assay:
- other: QSAR
Test material
- Reference substance name:
- data for components
- IUPAC Name:
- data for components
- Details on test material:
- Mineral Paraffin Oil is a complex UVCB substance. Data for components.
Constituent 1
Results and discussion
Any other information on results incl. tables
Overview of QSAR/SAR estimations on mutagenicity potential of Mineral Paraffin Oil
Method
|
Results |
Remarks |
Reference |
Pentadecane, C15H32(CAS No. 629-62-9)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Hexadecane, C16H34(CAS No. 544-76-3)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Heptadecane, C17H36(CAS No. 629-78-7)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Octadecane, C18H38(CAS No. 593-45-3)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Nonadecane, C19H40(CAS No. 629-92-5)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Eicosane, C20H42(CAS No. 112-95-8)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Henicosane, C21H44(CAS No. 629-94-7)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Docosane, C22H46(CAS No. 629-97-0)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Tricosane, C23H48(CAS No. 638-67-5)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Tetracosane, C24H50 (CAS No. 646-31-1)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Pentacosane, C25H52 (CAS No. 629-99-2)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Hexacosane, C26H54 (CAS No 630-01-3)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Heptacosane, C27H56 (CAS No. 593-49-7)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Octacosane, C28H58 (CAS No. 630-02-4)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Nonacosane, C29H60 (CAS No. 630-03-5)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Triacontane, C30H62(CAS No. 638-68-6)
|
|||
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
Activity: NON-Mutagen
|
Supportive data |
CAESAR QSAR model for Mutagenicity v.1.0.0.5 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: Negative for genotoxic carcinogenicity. Negative for nongenotoxic carcinogenicity. |
The decision logic is based on Benigni/Bossa rulebase (for mutagenicity and carcinogenicity)
|
Toxtree, v. 2.5.0 |
QSAR Method: Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES |
Result: No alerts for micronucleus assay (Class II) |
The decision logic is based on Structure Alerts fort he in vivo micronucleus assay in rodents
|
Toxtree, v. 2.5.0 |
Predicted |
Mutagenicity result: Mutagenicity Negative |
Peer reviewed data referred in the US EPA developed QSAR model for regulatory assessment of chemical substances
|
US EPA, T.E.S.T. (Toxicity estimation Software Tool), 2010 |
Applicant's summary and conclusion
- Conclusions:
- Screening of Mineral Paraffin Oil hydrocarbon components for mutagenicity/genotoxicity using several available QSAR models provide negative prediction results for this endpoint.
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