N-dodecyl-β-alanine, compound with 2,2',2''-nitrilotriethanol (1:1)

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

other:

Justification for type of information:

Substance is highly water soluble and is considered to be readily biodegradable

Cross-reference

Cross-reference 1

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

partition coefficient

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Remarks:

The substance is surface active and has a mixed molecular weight. As such, it is not possible to make a reliable estimate of the partition coefficient. However, the substance is miscible in water and there is high confidence that the partition coefficient is < 1.

Justification for type of information:

Estimation based on miscibility in water and confirmed by basic modelling

Qualifier:

no guideline followed

Principles of method if other than guideline:

The physicochemical properties of the substances were assessed, including consideration of solublity in water and organic solvents.
The EPISuite model was also used.

GLP compliance:

not specified

Type of method:

estimation method (solubility ratio)

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Sodium salt used for modelling assessment as amine counter ions invalidated the methods

Type:

log Pow

Partition coefficient:

< 1

pH:

ca. 7

Remarks on result:

other: Modelled based on neutral conditions

Conclusions:

Being miscible in water and poorly soluble in non-polar solvents, the partition coefficient can be reliably assessed to be < 1
The KOA WIN method (EPISuite) suggests Log Kow ca 1.15 for the acid, with the sodium salt known to be more soluble in water providing a negative result.
Due to the potential dissociation properties, changing the pH may impact on these properties, although the acid form and salts are still significantly soluble in water.

Cross-reference 2

Reason / purpose for cross-reference:

data waiving: supporting information

Reference

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

comparable to guideline study with acceptable restrictions

Justification for type of information:

Study performed on sodium salt.
The triethanolamine salt also dissociates and triethanolamine biodegradation has been well investigated

Reason / purpose for cross-reference:

read-across: supporting information

Qualifier:

according to guideline

Guideline:

OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test)

GLP compliance:

not specified

Oxygen conditions:

aerobic

Inoculum or test system:

activated sludge, domestic, non-adapted

Duration of test (contact time):

28 d

Reference substance:

benzoic acid, sodium salt

Parameter:

% degradation (CO2 evolution)

Value:

ca. 70

Sampling time:

9 d

Parameter:

% degradation (CO2 evolution)

Value:

ca. 96

Sampling time:

28 d

Details on results:

Two concentrations tested, but lower concentration (approx 10 mg/l C) gave a % degradation over over 100% and has been disregarded.
The higher concentration of approximately 30 mg/l C resulted in a plateau of about 100% degradation after day 22. The 10 day window was achieved.
The positive control group reached a plateau of about 80% after 22 days, but failed to reach the 60% in 10 day criteria.

Results with reference substance:

The positive control group reached a plateau of about 80% after 22 days, but failed to reach the 60% in 10 day criteria.

Validity criteria fulfilled:

no

Interpretation of results:

readily biodegradable

Executive summary:

There are obvious flaws in the testing, such as exceeding 100% for one of the concentrations tested and the poor performance of the positive control. However, earlier studies (albeit with less detail on methods and limited reporting) and estimations based on modelling and considering the class of substance suggests that the the substance is readily biodegradable.