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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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.