Registration Dossier
Registration Dossier
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EC number: 309-984-9 | CAS number: 101896-26-8 A residue from the distillation of crude benzole to remove benzole fronts. Composed primarily of benzene, toluene and xylenes boiling in the range of approximately 75°C to 200°C (167°F to 392°F).
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Studies comparable to guideline studies, based on accepted scientific principles
Cross-reference
- Reason / purpose for cross-reference:
- reference to same study
Data source
Referenceopen allclose all
- Reference Type:
- review article or handbook
- Title:
- The CRC Handbook of Chemistry and Physics
- Author:
- Lide D
- Year:
- 2 008
- Bibliographic source:
- CRC Press, Boca Raton, USA
- Reference Type:
- review article or handbook
- Title:
- Exploring QSAR hydrophobic, electronic, and steric constants
- Author:
- Hansch C, Leo A, Hoekman D
- Year:
- 1 995
- Bibliographic source:
- American Chemical Society, Washington DC
- Reference Type:
- review article or handbook
- Title:
- Unnamed
- Year:
- 2 002
- Reference Type:
- review article or handbook
- Title:
- Unnamed
- Year:
- 2 003
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- other: estimation method
- GLP compliance:
- no
- Type of method:
- other: shake-flask, HPLC, and calculation
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Automatically generated during migration to IUCLID 6, no data available
- IUPAC Name:
- Automatically generated during migration to IUCLID 6, no data available
- Details on test material:
- Components in CCSG-Composite sample No. 2, Light oil; ATE-No. 10438
CAS-No. Concentration [%'w/w]
===============================
Benzene 71-43-2 32-36
Toluene 108-88-3 20-21
o-Xylene 95-47-6 1.9-2.3
(m-Xylene/ 108-38-3 9.5-11.1
p-Xylene) 106-42-3
Xylenes 1330-20-7 11.3-13.4
Et-Benzene 100-41-4 2.4-2.9
Styrene 100-42-5 3.2-3.6
Naphthalene 91-20-3 1.6-1.8
Indene 95-13-6 8-11
==============================
Constituent 1
Study design
- Analytical method:
- other: not applicable
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- ca. 2.1 - 3.7
- Temp.:
- 25 °C
- pH:
- 7 - 7.5
- Details on results:
- The range of approx. 80 % of light oil ingredients is between 2.1 and 3.7.
Any other information on results incl. tables
Summary of n-octanol-water partition coefficients (as log Pow) for key components of light oil:
CAS No. |
CS 02 [%] |
logPow |
Reference |
|
Benzene |
71-43-2 |
32-36 |
2.13 |
Lide D 2008 |
Toluene |
108-88-3 |
20-21 |
2.73 |
Hansch C, Leo A, Hoekman D. 1995 |
o-Xylene |
95-47-6 |
1.9-2.3 |
3.12 |
Hansch C, Leo A, Hoekman D. 1995 |
m-Xylene |
108-38-3 |
9.5 - 11.1 (m/p) |
3.2 |
Hansch C, Leo A, Hoekman D. 1995 |
p-Xylene |
106-42-3 |
9.5 - 11.1 (m/p) |
3.15 |
Hansch C, Leo A, Hoekman D. 1995 |
Xylenes |
1330-20-7 |
11.3-13.4 |
||
Et-Benzene |
100-41-4 |
2.4-2.9 |
3.15 |
Hansch C, Leo A, Hoekman D. 1995 |
Styrene |
100-42-5 |
3.2-3.6 |
2.9 – 3.2 (mean 3.02) |
EU 2002, Vol 27 |
Naphthalene |
91-20-3 |
1.6-1.8 |
3.4 – 3.7 |
EU 2003, Vol 33 |
Indene |
95-13-6 |
8-11 |
2.92 |
Ullmann's Encyclopedia of Industrial Chemistry. |
References:
Lide D 2008: The CRC Handbook of Chemistry and Physics. CRC Press, Boca Raton, USA
Hansch C, Leo A, Hoekman D. 1995: Exploring QSAR hydrophobic, electronic, and steric constants.
American Chemical Society, Washington DC
EU 2002: European Union Risk Assessment Report Styrene, Part I Environment, Vol. 27
EU 2003: European Union Risk Assessment Report Naphthalene, Vol. 33
Applicant's summary and conclusion
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.
