Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
experimental study
Adequacy of study:
key study
Study period:
19 June 2018 to 23 July 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7550 (Partition Coefficient, n-octanol / H2O, Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Chlorocyclopentane
EC Number:
213-212-5
EC Name:
Chlorocyclopentane
Cas Number:
930-28-9
Molecular formula:
C5H9Cl
IUPAC Name:
chlorocyclopentane
Test material form:
liquid
Details on test material:
- Name as stated in the report: JNJ-64259884-AAA (Cyclopentylchloride)
- Physical state: Liquid
- Appearance: clear to light yellow liquid
Specific details on test material used for the study:
- Batch n°: M16CD0746
- Analytical purity: 99.5%
- Expiration date: 1 November 2018 (retest date)
- Storage condition: at room temperature

Study design

Analytical method:
high-performance liquid chromatography
photometric method

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
2.7
Temp.:
20 °C
pH:
>= 8.3 - <= 8.5
Details on results:
Calculation method
The Pow of the test item was calculated to be 3.0 E2 (log Pow 2.47) using the Rekker calculation method.

Calculation of the pKa
There are no acidic and basic groups in the molecular structure of the test item.

Main study: shake flask method
The analyzed concentration of the stock solution was 2.20 g/L. Based on this the nominal quantity of the test item in the test samples was 4.4 mg. The recoveries were determined according to this value.

The log Pow values were within the criterion range of ± 0.3 log units. Based on this, the Pow and log Pow of the test item is given as the mean value of all measurements.

No test item was detected in the pretreated samples from the blank mixture.

Any other information on results incl. tables

 Ratio n-octanol:water (v:v)   Analysed concentration
 n-octanol (g/L)  water (g/L)
 Pow Pow (mean)  log Pow     pH     
 1:1  0.698  0.00154  4.53 x 102  4.59 x 102  2.7  8.5
 1:1  0.701  0.00151  4.65 x 102    2.7  8.5
 1:2  1.17  0.00231  5.07 x 102  4.84 x 102  2.7 8.5 
 1:2  1.05  0.00228  4.61 x 102    2.7  8.5
 2:1  0.535  0.00114  4.70 x 102  4.72 x 102  2.7  8.3
 2:1  0.548  0.00116  4.73 x 102    2.7  8.4
 Mean      4.7 x 102    2.7  
 Standard deviation      1.9 x 101      

Recoveries were between 95 and 100%.

Applicant's summary and conclusion

Conclusions:
The shake flask method at neutral pH was applied for the determination of the partition coefficient (Pow) of Cyclopentylchloride.

The Pow value of the test item at 20°C and pH 8.3-8.5 was 4.7 x 10².

It corresponds with a log Pow value of 2.7.