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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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).
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- 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:
- 2 009
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR method
- Principles of method if other than guideline:
- KOWWIN v1.67
(US EPA, EPI Suite v 4.00) - GLP compliance:
- no
- Remarks:
- not applicable to QSAR models
- Type of method:
- other: QSAR method
- Partition coefficient type:
- octanol-water
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 QSARs estimations on partition coefficient n-octanol/water of Diesel Fuel components
Method
|
Results |
Remarks |
Reference |
|
Hexane, C6H14(CAS No. 110-54-3)
|
||||
QSAR estimate |
Log Kow=3.29 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Heptane, C7H16(CAS No. 142-82-5)
|
||||
QSAR estimate |
Log Kow=3.78 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Octane, C8H18(CAS No. 111-65-9)
|
||||
QSAR estimate |
Log Kow=4.27 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Nonane, C9H20(CAS No. 111-84-2)
|
||||
QSAR estimate |
Log Kow=4.76 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Decane, C10H22(CAS No. 124-18-5)
|
||||
QSAR estimate |
Log Kow=5.25 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Hendecane, C11H24(CAS No. 1120-21-4)
|
||||
QSAR estimate |
Log Kow=5.74 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Dodecane, C12H26(CAS No. 112-40-3)
|
||||
QSAR estimate |
Log Kow=6.23 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Tridecane, C13H28(CAS No. 629-50-5)
|
||||
QSAR estimate |
Log Kow=6.73 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Tetradecane, C14H30(CAS No. 629-59-4)
|
||||
QSAR estimate |
Log Kow=7.22 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Pentadecane, C15H32(CAS No. 629-62-9)
|
||||
QSAR estimate |
Log Kow=7.709 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Hexadecane, C16H34(CAS No. 544-76-3)
|
||||
QSAR estimate |
Log Kow=8.1990 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Heptadecane, C17H36(CAS No. 629-78-7)
|
||||
QSAR estimate |
Log Kow=8.6901 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Octadecane, C18H38(CAS No. 593-45-3)
|
||||
QSAR estimate |
Log Kow=9.1812 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Nonadecane, C19H40(CAS No. 629-92-5)
|
||||
QSAR estimate |
Log Kow=9.6723 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Eicosane, C20H42(CAS No. 112-95-8)
|
||||
QSAR estimate |
Log Kow=10.1634 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Toluene, C7H8(CAS No. 108-88-3)
|
||||
QSAR estimate |
Log Kow=2.54 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Ethylbenzene, C8H10(CAS No. 100-41-4)
|
||||
QSAR estimate |
Log Kow=3.03 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
p-Xylene, C8H10(CAS No. 106-42-3)
|
||||
QSAR estimate |
Log Kow=3.09 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
o-Xylene, C8H10(CAS No. 95-47-6) |
||||
QSAR estimate |
Log Kow=3.09 |
Valid with restrictions (2); QSAR method; Estimated values |
KOWWIN v1.67 (US EPA, EPI Suite v 4.00) |
|
Applicant's summary and conclusion
- Conclusions:
- The log Pow/log Kow data for Diesel Fuel components indicate values >3 for this endpoint.
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