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REACH

Fuels, diesel

EC number: 269-822-7 | CAS number: 68334-30-5 A complex combination of hydrocarbons produced by the distillation of crude oil. It consists of hydrocarbons having carbon numbers predominantly in the range of C9 through C20 and boiling in the range of approximately 163°C to 357°C (325°F to 675°F).

Life Cycle description
Uses advised against

Toxicological information

Skin sensitisation

Administrative data

Endpoint:: skin sensitisation
Remarks:: other: QSAR method
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
Guideline:: other: QSAR method

Principles of method if other than guideline:: QSAR Method:
Toxtree (Estimation of Toxic Hazard –A Decision Tree Approach) based on SMILES

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008)
GLP compliance:: no
Remarks:: not applicable to QSAR models
Type of study:: other: QSAR method

Test material

Test material information

Details on test material:: data for components

Results and discussion

Any other information on results incl. tables

Overview of QSAR/SAR estimations on sensitization potential of Diesel Fuel components

Method

Results

Remarks

Reference

Hexane, C₆H₁₄(CAS No. 110-54-3)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Heptane, C₇H₁₆(CAS No. 142-82-5)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Octane, C₈H₁₈(CAS No. 111-65-9)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Nonane, C₉H₂₀(CAS No. 111-84-2)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Decane, C₁₀H₂₂(CAS No. 124-18-5)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Hendecane, C₁₁H₂₄(CAS No. 1120-21-4)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Dodecane, C₁₂H₂₆(CAS No. 112-40-3)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Tridecane, C₁₃H₂₈(CAS No. 629-50-5)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Tetradecane, C₁₄H₃₀(CAS No. 629-59-4)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Pentadecane, C₁₅H₃₂(CAS No. 629-62-9)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Hexadecane, C₁₆H₃₄(CAS No. 544-76-3)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Heptadecane, C₁₇H₃₆(CAS No. 629-78-7)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Octadecane, C₁₈H₃₈(CAS No. 593-45-3)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Nonadecane, C₁₉H₄₀(CAS No. 629-92-5)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Eicosane, C₂₀H₄₂(CAS No. 112-95-8)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Toluene, C₇H₈(CAS No. 108-88-3)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Ethylbenzene, C₈H₁₀(CAS No. 100-41-4)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

p-Xylene, C₈H₁₀(CAS No. 106-42-3)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

o-Xylene, C₈H₁₀(CAS No. 95-47-6)

QSAR Method:

Toxtree (Estimation of

Toxic Hazard –A Decision Tree Approach) based on SMILES

No skin sensitisation alerts identified

The decision logic is based on Skin Sensitisation Alerts: Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach (Enoch et al, 2008) as follows:

QSNAR.SNAr-Nucleophilic Aromatic Substitution:No

QSB.Schiff Base Formation:No

QMA.Michael Acceptor:No

Qacyl.Acyl Transfer Agents:No

QSSN2.SN2-Nucleophilic Aliphatic Substitution:No

Q6.At least one alert for skin sensitisation?No

Class No skin sensitisation alerts identified

Toxtree, v. 2.5.0

Applicant's summary and conclusion

Conclusions:: No skin sensitisation alerts identified

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.

Registration Dossier

Registration Dossier

Data platform availability banner - registered substances factsheets

Diss Factsheets

Fuels, diesel

Skin sensitisation

Administrative data

Data source

Reference

Materials and methods

Test guideline

Test material

Test material information

Constituent 1

Results and discussion

Any other information on results incl. tables

Applicant's summary and conclusion