Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
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).
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation: aquatic / sediment
- 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:
- 2 010
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR method
- Principles of method if other than guideline:
- QSAR method
- GLP compliance:
- no
- Remarks:
- not applicable to QSAR models
Test material
- Reference substance name:
- data for components
- IUPAC Name:
- data for components
- Details on test material:
- data for components
Constituent 1
Results and discussion
Any other information on results incl. tables
Overview of QSAR data on aquatic bioaccumulation ofDiesel Fuelcomponents
Method
|
Results |
Remarks |
Reference |
|
Hexane, C6H14(CAS No. 110-54-3)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =2.24; BCF =174 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.23 Bioaccumulation factor=169.81 |
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 |
|
Heptane, C7H16(CAS No. 142-82-5)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =2.74; BCF =552 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.57 Bioaccumulation factor=367.93 |
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 |
|
Octane, C8H18(CAS No. 111-65-9)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =3.08; BCF =1220 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.91 Bioaccumulation factor=809.39 |
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 |
|
Nonane, C9H20(CAS No. 111-84-2)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =2.02; BCF =105 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.81 Bioaccumulation factor=653.02 |
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 |
|
Decane, C10H22(CAS No. 124-18-5)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =1.60; BCF =39.7 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.87 Bioaccumulation factor=748.28 |
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 |
|
Hendecane, C11H24(CAS No. 1120-21-4)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =2.08; BCF =121 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.83 Bioaccumulation factor=683.30 |
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 |
|
Dodecane, C12H26(CAS No. 112-40-3)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =2.32; BCF =208 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.60 Bioaccumulation factor=395.92 |
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 |
|
Tridecane, C13H28(CAS No. 629-50-5)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =2.73; BCF =537 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.56 Bioaccumulation factor=363.73 |
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 |
|
Tetradecane, C14H30(CAS No. 629-59-4)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =3.43; BCF = 2690 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.51 Bioaccumulation factor=322.52 |
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 |
|
Pentadecane, C15H32(CAS No. 629-62-9)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =3.18; BCF = 1520 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.59 Bioaccumulation factor=386.34 |
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)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =2.940; BCF = 870.9 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.67 Bioaccumulation factor=466.82 |
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)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =2.699; BCF = 500.4 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.48 Bioaccumulation factor=303.25 |
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)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =2.459; BCF = 287.5 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.59 Bioaccumulation factor=385.68 |
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)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =2.218; BCF = 165.2 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.65 Bioaccumulation factor=444.50 |
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)
|
||||
QSAR estimate BCFBAF v.3.00 |
Log BCF =1.98; BCF = 94.9 L/kg wet wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.67 Bioaccumulation factor=462.79 |
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 |
|
Toluene, C7H8(CAS No. 108-88-3)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =1.47; BCF =29.4 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 1.75 Bioaccumulation factor=56.68 |
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 |
|
Ethylbenzene, C8H10(CAS No. 100-41-4)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF=1.75; BCF =55.6 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.11 Bioaccumulation factor=128.50 |
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 |
|
p-Xylene, C8H10(CAS No. 106-42-3)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =1.75; BCF =55.6 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.08 Bioaccumulation factor=121.60 |
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 |
|
o-Xylene, C8H10(CAS No. 95-47-6)
|
||||
QSAR estimate BCFBAF v.3.00 |
Estimated Log BCF =1.73; BCF = 53.2 L/kg wet-wt
|
2 (reliable with restrictions)
key study
(Q)SAR |
USEPA (EPI Suite v.4.00) |
|
Predicted |
Bioaccumulation factor Log10 = 2.08 Bioaccumulation factor=120.50 |
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:
- Generally, a BCF in fish of ≥ 500 is indicative of the potential to bioconcentrate for classification purposes in accordance with CLP/GHS criteria. The BCF values estimated for Diesel Fuel suggest some bioaccumulation potential for some paraffin Diesel Fuel components.
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.
