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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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).
Phototransformation in air
Administrative data
- Endpoint:
- phototransformation in air
- 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:
- AOPWIN v.1.92 US EPA, EPI Suite v 4.00
- 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 estimated data on phototransformation ofDiesel Fuelcomponents in air
Method
|
Results |
Remarks |
Reference |
|
Hexane, C6H14(CAS No. 110-54-3)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 23.515 hours (1.96 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 5.4583 x10-12cm3/ molecule -sec
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Heptane, C7H16(CAS No. 142-82-5)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 18.679 hours (1.557 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 6.8713 x10-12cm3/ molecule -sec
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Octane, C8H18(CAS No. 111-65-9)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 15.493 hours (1.291 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 8.2844 x10-12cm3/ molecule -sec
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Nonane, C9H20(CAS No. 111-84-2)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 13.236 hours (1.103 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 9.6974 x10-12cm3/ molecule -sec
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Decane, C10H22(CAS No. 124-18-5)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 11.552 hours (0.963 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 11.1105 x10-12cm3/ molecule -sec
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Hendecane, C11H24(CAS No. 1120-21-4)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 10.249 hours (0.854 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 12.5235 x10-12cm3/ molecule -sec
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Dodecane, C12H26(CAS No. 112-40-3)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 9.210 hours (0.767 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 13.9366 x10-12cm3/ molecule -sec
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Tridecane, C13H28(CAS No. 629-50-5)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 8.362 hours (0.697 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 15.3496 x10-12cm3/ molecule -sec
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Tetradecane, C14H30(CAS No. 629-59-4)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 7.657 hours (0.638 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 16.7627 x10-12cm3/ molecule -sec
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Pentadecane, C15H32(CAS No. 629-62-9)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 7.062 hours (0.588 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 18.1757 x10-12cm3/ molecule -sec (estimated) 22.2 x10-12cm3/ molecule -sec (experimental)
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Hexadecane, C16H34(CAS No. 544-76-3)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 6.552 hours (0.546 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 19.5888 x10-12cm3/ molecule -sec (estimated) 24.9 x10-12cm3/ molecule -sec (experimental)
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Heptadecane, C17H36(CAS No. 629-78-7)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 6.111 hours (0.509 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 21.0018 x10-12cm3/ molecule -sec (estimated)
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Octadecane, C18H38(CAS No. 593-45-3)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 5.726 hours (0.477 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 22.4149 x10-12cm3/ molecule -sec (estimated)
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Nonadecane, C19H40(CAS No. 629-92-5)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 5.387 hours (0.449 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 23.8279 x10-12cm3/ molecule -sec (estimated)
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Eicosane, C20H42(CAS No. 112-95-8)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 5.085 hours (0.424 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 25.2410 x10-12cm3/ molecule -sec (estimated)
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Toluene, C7H8(CAS No. 108-88-3)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 24.559 hours (2.047 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 5.2263 x10-12cm3/ molecule -sec
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Ethylbenzene, C8H10(CAS No. 100-41-4)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 21.585 hours (1.799 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 6.9463 x10-12cm3/ molecule -sec
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
p-Xylene, C8H10(CAS No. 106-42-3)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 19.710 hours (1.643 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 6.5119 x10-12cm3/ molecule -sec
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
o-Xylene, C8H10(CAS No. 95-47-6)
|
||||
QSAR estimate |
Half-life for reaction with hydroxyl radicals (at 25 deg C) = 19.710 hours (1.643 days) (12-hour day; 1.5x106OH/cm3).
Overall OH Rate Constant: 6.5119 x10-12cm3/ molecule -sec
|
Valid with restrictions (2); QSAR method; Estimated values |
AOPWIN v.1.92 US EPA, EPI Suite v 4.00 |
|
Applicant's summary and conclusion
- Conclusions:
- Degradation in air < 1 day (components data)
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.
