Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
migrated information: read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key 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:
polycyclic aromatic hydrocarbons (PAH)
IUPAC Name:
polycyclic aromatic hydrocarbons (PAH)
Details on test material:
CAS-No. Concentration [%w/w]*
=====================================
Fluorene 86-73-7 6.5 - 8
Acenaphthene 83-32-9 3.5 - 4
Phenanthrene 85-01-8 26 - 31
Anthracene 120-12-7 6 - 7
Fluoranthene 206-44-0 6 – 7.5
Pyrene 129-00-0 ~ 3
=====================================
* Concentrations in anthracene oil CS07 (GC analysis)

Study design

Analytical method:
gas chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.9 - 5.2
Temp.:
25 °C
pH:
7 - 7.5
Details on results:
The range of approx. 60 % of ingredients of anthracene oil (< 50 ppm BaP) is between logPow of approx. 3.9 and 5.2 with the estimated average of 4.5.

Any other information on results incl. tables

Summary of n-octanol-water partition coefficients (as log Pow) for key components of anthracene oil (< 50 ppm BaP):

CAS-No.

LogPow

Source

Fluorene

86-73-7

4.18

Miller et al. 1985

Acenaphthene

83-32-9

3.92

WHO, 1998

Phenanthrene

85-01-8

4.57

Miller et al., 1985

Anthracene

120-12-7

4.54

Fluoranthene

206-44-0

5.22 (c)

Pyrene

129-00-0

5.18

(C) = calculated

Applicant's summary and conclusion