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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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 >= 35
1-Methylnaphthalene 90-12-0 >= 1
2-Methylnaphthalene 91-57-6 >= 3
Acenaphthene 83-32-9 >= 0.5
=========================================

Study design

Analytical method:
gas chromatography

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
3.4 - 4
Temp.:
25 °C
pH:
7 - 7.5
Details on results:
The logPow range of 40 - 80 % of naphthalene oil ingredients is between 3.4 and 4.0 with the estimated average of 3.6.

Any other information on results incl. tables

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

CAS-No.

LogPow

Naphthalene

 91-20-3

3.351)

1-Methylnaphthalene

 90-12-0

3.871)

2-Methylnaphthalene

 91-57-6

3.861)

Acenaphthene

83-32-9

3.922)

1) Miller et al 1985

2) WHO 1998

Applicant's summary and conclusion