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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

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

Data source

Referenceopen allclose all

Reference Type:
publication
Title:
Relationship between octanol-water partition coefficient and aqueous solubility
Author:
Miller MM, Wasik P, Huang G-L, Shiu W-Y and Mackay D
Year:
1985
Bibliographic source:
Environ. Sci. Technol. 19, 522-529
Reference Type:
review article or handbook
Title:
Selected non-heterocyclic polycyclic aromatic hydrocarbons
Author:
WHO (World Health Organization)
Year:
1998
Bibliographic source:
Environmental Health Criteria 202, Intern. Programme on Chemical Safety (IPCS), Geneva, 1998

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Type of method:
shake-flask method to: flask method
Remarks:
according to Miller et al. 1985
Partition coefficient type:
octanol-water

Test material

Constituent 1
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:

CAS-No. Concentration [%'w/w]
=========================================
Naphthalene 91-20-3 ~ 4
1-Methylnaphthalene 90-12-0 ~ 4
2-Methylnaphthalene 91-57-6 ~ 8
Biphenyl 92-52-4 ~ 2
Fluorene 86-73-7 ~ 6
Acenaphthene 83-32-9 ~ 10
Phenanthrene 85-01-8 ~ 9
Anthracene 120-12-7 ~ 3
Fluoranthene 206-44-0 ~ 5
Pyrene 129-00-0 ~ 4
Benz(a)anthracene 56-55-3 ~ 1
Chrysene 218-01-9 ~ 1
=====================================

Study design

Analytical method:
gas chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
ca. 3.3 - 5.9
Temp.:
25 °C
pH:
7 - 7.5
Details on results:
The range of approx. 57 % of ingredients of distillates(coal tar), upper is between logPow of approx. 3.3 and approx. 5.9. Most other ingedrients are anticipated to be within the same range.

Any other information on results incl. tables

Summary of n-octanol-water partition coefficients (as log Pow) for key components

of Distillates (coal tar), upper:

   CAS-No.  LogPow  Source
 Naphthalene  91-20-3  3.35

Miller et al., 1985

1 -Methylnaphthalene   90-12-0  3.87

Miller et al., 1985

 2 -Methylnaphthalene  91-57-6  3.86

Miller et al., 1985

 Biphenyl  92-52-4  3.76

Miller et al., 1985

 Fluorene  86-73-7  4.18

Miller et al., 1985

 Acenaphthene  83-32-9  3.92

WHO, 1998

 Phenantrene  85-01-8  4.57

Miller et al., 1985

 Anthracene  120-12-7  4.54

Miller et al., 1985

 Fluoranthene  206-44-0  5.22 (c)

Miller et al., 1985

 Pyrene  129-00-0  5.18

Miller et al., 1985

 Benz[a]anthracene  218-01-9  5.61

WHO, 1998

 Chrysene  56-55-3  5.91 (c)

Miller et al., 1985

(c) = calculated

Applicant's summary and conclusion