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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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