Registration Dossier

Toxicological information

Genetic toxicity: in vitro

Currently viewing:

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:
2010

Materials and methods

Test guideline
Qualifier:
according to
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
Name:
Unnamed
Type:
Constituent
Details on test material:
Mineral Paraffin Oil is a complex UVCB substance. Data for components.

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.