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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

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

Materials and methods

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

Test material

Constituent 1
Chemical structure
Reference substance name:
Guanidinium phosphate (1:1)
EC Number:
226-551-9
EC Name:
Guanidinium phosphate (1:1)
Cas Number:
5423-22-3
Molecular formula:
CH5N3.H3O4P
IUPAC Name:
Guanidium phosphate (1:1)

Study design

Analytical method:
other: Ion Chromatography

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
Pow
Partition coefficient:
< 0
Temp.:
25 °C
pH:
>= 5.21 - <= 5.78
Remarks on result:
other: Mean (n=6). Standard deviation: 0.00022
Key result
Type:
log Pow
Partition coefficient:
< -3.48
Temp.:
25 °C
pH:
>= 5.21 - <= 5.78
Remarks on result:
other: Mean (n=6).
Details on results:

No analyte was detected in the n-octanol layer extracts therefore the limit of detection (LOD) for the applied method, 0.5 mg/L, was used as the nominal concentration in the octanol layers. Therefore the calculated average logP value is likely to be lower than -3.48.

The determined values of the partition coefficient expressed as their common logarithms fall within a range of +/- 0.3 log units as noted in the test guidelines and therefore test accuracy is acceptable. Considering the recoveries the deviations are in the range of 94-102%.

Any other information on results incl. tables

Calculation of partition coefficient (Pow and log Pow) for test substance*:

*concentration of test substance in n-octanol phase has been considered to be equal to LOD = 0.5 mg/L.

   Test 1A  Test 1B  Test 2A  Test 2B  Test 3A  Test 3B
Weight of sample (mg)  26.766  26.766  17.844  17.844  4.461  4.461
Amount of substance in n-octanol phase (mg)  0.0045  0.0045  0.0030  0.0030  0.0060  0.0060
Conc. in water phase (mg/L)  7.54350  7.31300  7.75850  7.81000  3.87800  3.87500
Conc. in water phase x dilution (mg/L)  1508.7000  1462.6000  775.8500  781.0000  387.8000  387.5000
Amount of substance in water phase (mg)  27.1566  26.3268  18.6204  18.7440  4.6536  4.6500
Recovery (mg)  27.1611  26.3313  18.6234  18.7470  4.6596  4.6560
P = conc. in n-octanol / conc. in water  0.00017  0.00017  0.00032  0.00032  0.00064  0.00065
Mean P values  0.00017    0.00032    0.00065  
Mean P for all determinations  0.00038          
Standard deviation of individual p from the mean p value  0.00022          
log P  -3.770  -3.770  -3.495  -3.495  -3.194  -3.187
Mean log P value  -3.48          
             
 pH of aqueous layer  5.24  5.21  5.42  5.39  5.78  5.77
             

Applicant's summary and conclusion

Conclusions:
The partition coefficient (n-octanol/water) (log Pow) of the substance at pH = 5.21-5.78 and 25 °C was determined to be <-3.48 by using the shake flask method in accordance with EC A.8 and OECD 107 guidelines.