trisodium (2S)-2,6-bis(3-carboxylatopropanamido)hexanoate

Bioaccumulation: aquatic / sediment

Administrative data

Endpoint:

bioaccumulation in aquatic species: fish

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because the substance has a low potential for bioaccumulation based on log Kow <=3

Cross-reference

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

weight of evidence

Study period:

2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: 23ADB/50
- Expiration date of the lot/batch: 21-11-2023

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: room temperature
- Stability under test conditions: 5 years

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

< 0.5

Temp.:

25 °C

pH:

7.5

Details on results:

The partition coefficient (n-octanol/water) of the test item was determined according to “OECD 117-Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method” at the test temperature of 25 ° C and a pH value of 7.5.
The partition coefficient (n-octanol/water) has to be calculated for every peak with RT (retention time) higher than RT of Thiourea (about 1.77 min), but under the chromatographic conditions specified in this guideline, the analyte peak elute before the Thiourea peak.
For this reason, the log Pow is not calculable.
However, all the three measurements showed a retention time much lower than the reference items (4-Acetylpyridine have a log Pow equal to 0.5). Then the log Pow of the test item “Trisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate” is indicated as <0.5.

Conclusions:

The log Pow of the test item “Trisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate” is <0.5.

Executive summary:

The partition coefficient of the test item Trisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate has been determined experimentally according to test guideline OECD 117.

The partition coefficient (n-octanol/water) has to be calculated for every peak with RT (retention time) higher than RT of Thiourea (about 1.77 min), but under the chromatographic conditions specified in the chapter ‘Experimental procedure’ and according to OECD 117 guidelines, the analyte peak elute before the Thiourea peak.

For this reason, the log Pow is not calculable, as is the calculation of a mean and standard deviation for the test item.

However, all the three measurements showed a retention time much lower than the reference items (4-Acetylpyridine have a log Pow 0.5). Then the log Pow of the test item “Trisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate” is indicated as <0.5.

The partition coefficient (n-octanol / water) (log Pow) of the test substance Trisodium (2S)-2.6-bis(3-carboxylatopropanamido) hexanoate

was determined at the test temperature of 25 °C and a pH value of 7.5.