Registration Dossier

Diss Factsheets

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
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
July 1995
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
Landesanstalt für Umwelt, Messungen und Naturschutz Baden-Württemberg.
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Tyrosine
EC Number:
200-460-4
EC Name:
Tyrosine
Cas Number:
60-18-4
Molecular formula:
C9H11NO3
IUPAC Name:
tyrosine

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
< -2
Temp.:
21.1 °C
pH:
6.67 - 7.12

Any other information on results incl. tables

Results summary table:

Ratio
water / octanol
No. Determined conc. of analyte in water phase
(mf/L)
Determined conc. of analyte in octanol phase
(mg/L)
Pow log Pow Mean log Pow Overall Mean log Pow pH value of water phase
01-Jan 1 154.9 1.321 0.0085 <-2 (-2.07)* <-2
(-2.09)*
<-2
(-2.08)*
6.67
  2 154.8 1.202 0.0078 <-2 (-2.11)* 7.05
02-Jan 1 152.0 1.287 0.0085 <-2 (-2.07)* <-2
(-2.07)*
7.02
  2 151.2 1.289 0.0085 <-2 (-2.07)* 7.07
01-Feb 1 159.3 1.343 0.0084 <-2 (-2.08)* <-2
(-2.09)*
6.82
  2 159.0 1.299 0.0082 <-2 (-2.09)* 7.12

Concentration of test item in stock solution:

- Nominal concentraiton: 151.0 mg/L

- Determined concentration: 149.7 mg/L

- Recovery: 99.1%

Mass balance for Pow determination:

Ratio
water / octanol
No. water volume
(mL)
n-octanol volume
(mL)
Nominal total amount in vessel
(mg)
Determined amount (water phase)
(mg)
Determined amount (n‑octanol phase)
(mg)
Determined total amount in vessel
(mg)
Mass balance
(%)
01-Jan 1 40 40 5.99 6.20 0.05 6.25 104.3
  2 40 40 6.19 0.05 6.24 104.2
02-Jan 1 50 25 7.49 7.60 0.03 7.63 101.9
  2 50 25 7.56 0.03 7.59 101.3
01-Feb 1 25 50 3.74 3.98 0.07 4.05 108.3
  2 25 50 3.98 0.06 4.04 108.0

Applicant's summary and conclusion

Conclusions:
The partition coefficient was determined to be < -2.
Executive summary:

The n-octanol/water partition coefficient of the test item was determined according to OECD 107 and in compliance with GLP by means of the shake-flask method. The main test was performed at three different ratios of n-octanol and water.

The determined partition coefficient at 21.1°C is -2.08. As this value is below the limit of the method (log Pow < -2), a value of <-2 is reported.