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Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Endpoint:
partition coefficient
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
supporting study
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:
Relationships 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)
GLP compliance:
no
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 11 - 13
1-Methylnaphthalene 90-12-0 7 - 9
2-Methylnaphthalene 91-57-6 17 - 20
Biphenyl 92-52-4 5 - 6
Fluorene 86-73-7 4 - 5
Acenaphthene 83-32-9 13 - 15
Phenanthrene 85-01-8 ~2
=========================================

Study design

Analytical method:
gas chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.4 - 4.2
Temp.:
25 °C
pH:
7 - 7.5
Details on results:
The range of approx. 60 % of wash oil ingredients is between 3.4 and 4.2 with the estimated average of 3.8.

Any other information on results incl. tables

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

CAS-No.

LogPow

Source

Naphthalene

91-20-3

3.35

Miller et al., 1985

1-Methylnaphthalene

90-12-0

3.87

2-Methylnaphthalene

91-57-6

 3.86

Biphenyl

92-52-4

3.76

Fluorene

86-73-7

4.18

Acenaphthene

83-32-9

3.92

WHO, 1998

Phenanthrene

85-01-8

4.57

Miller et al., 1985

Applicant's summary and conclusion