Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Study performed in line with OECD test guidance and reported with sufficient details

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
1999

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
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
1,1,1,3,3-pentachlorobutane
EC Number:
244-691-9
Cas Number:
21981-33-9
Molecular formula:
C4H5Cl5
IUPAC Name:
1,1,1,3,3-pentachlorobutane

Study design

Analytical method:
other: dosage of Cl

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
ca. 2.7
Temp.:
20 °C
pH:
< 7

Any other information on results incl. tables

Concentration of total Cl:

   Cl (mg/kg)  PCBa (mg/kg)  PCBa (mol/kg)
 H2O saturated-Octanol (blank)  5 -
 Octanol saturated-H2O (blank) <1 <1 
 PCBa in octanol (stock solution)  1800  2300   0.01
 Octanol-H2O (1:1)*

 3.04 E-5

 Octanol-H2O (1:2)* 4  2.17 E-5
 Octanol-H2O (2:1)*  2.17 E-5

*Only determination in the aqueous phase was performed

The average concentration determined in the aqueous phase of the 3 octanol-water solutions (2.45 E-5 mol/kg) led to the Log Kow determination of 2.70

Applicant's summary and conclusion