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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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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

Acute Toxicity: oral

Currently viewing:

Administrative data

Endpoint:: acute toxicity: oral
Type of information:: (Q)SAR
Adequacy of study:: weight of evidence
Reliability:: 2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:: other: Regulatory accepted QSAR method for organic chemicals properties assessment.
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 Cramer rules (Cramer et al, 1978)
GLP compliance:: no
Remarks:: not applicable to QSAR models
Test type:: other: QSAR method

Test material

Test material information

Details on test material:: components data

Results and discussion

Any other information on results incl. tables

Overview of QSARs estimations on acute toxicity 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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:Yes

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:No

Q6. Benzene derivative with certain substituents:No

Q7. Heterocyclic:No

Q16. Common terpene:No

Q17. Readily hydrolysed to a common terpene:No

Q19. Open chain:No

Q23. Aromatic:Yes

Q27. Rings with substituents:Yes

Q28. More than one aromatic ring:No

Q30. Aromatic Ring with complex substituents:No

Q18. One of the list:No

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:No

Q6. Benzene derivative with certain substituents:No

Q7. Heterocyclic:No

Q16. Common terpene:No

Q17. Readily hydrolysed to a common terpene:No

Q19. Open chain:No

Q23. Aromatic:Yes

Q27. Rings with substituents:Yes

Q28. More than one aromatic ring:No

Q30. Aromatic Ring with complex substituents:No

Q18. One of the list:No

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:No

Q6. Benzene derivative with certain substituents:No

Q7. Heterocyclic:No

Q16. Common terpene:No

Q17. Readily hydrolysed to a common terpene:No

Q19. Open chain:No

Q23. Aromatic:Yes

Q27. Rings with substituents:Yes

Q28. More than one aromatic ring:No

Q30. Aromatic Ring with complex substituents:No

Q18. One of the list:No

Class Low (Class I)

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

Low Toxic Hazard (Class I):

Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

The decision logic is based on Cramer rules (Cramer et al, 1978) as follows:

Q1. Normal constituent

of the body:No

Q2. Contains functional groups associated with enhanced toxicity:No

Q3. Contains elements other than C, H, O, N, divalent S:No

Q5. Simply branched aliphatic hydrocarbon or common carbohydrate:No

Q6. Benzene derivative with certain substituents:No

Q7. Heterocyclic:No

Q16. Common terpene:No

Q17. Readily hydrolysed to a common terpene:No

Q19. Open chain:No

Q23. Aromatic:Yes

Q27. Rings with substituents:Yes

Q28. More than one aromatic ring:No

Q30. Aromatic Ring with complex substituents:No

Q18. One of the list:No

Class Low (Class I)

Toxtree, v. 2.5.0

Applicant's summary and conclusion

Conclusions:: Low Toxic Hazard (Class I): Substances with simple chemical structures and for which sufficient modes of metabolism exist, suggesting a low order of oral toxicity

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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Diss Factsheets

Fuels, diesel

Acute Toxicity: oral

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