Dodecanedioic acid, compound with 2,2',2''-nitrilotriethanol (1:2)

Biodegradation in water: screening tests

Administrative data

Endpoint:

biodegradation in water: ready biodegradability

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

The QSAR prediction is within the domains of applicability of the CATALOGIC 301C model. Both the prediction and the model are validated according to the OECD principles of validation.

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Guideline:

other: OECD 301C

Test material

Test material information

Constituent 1

Reference substance name:

Dodecanedioic acid, compound with 2,2',2''-nitrilotriethanol (1:2)

EC Number:

285-132-9

EC Name:

Dodecanedioic acid, compound with 2,2',2''-nitrilotriethanol (1:2)

Cas Number:

85030-08-6

Molecular formula:

C12H22O4.2C6H15NO3

IUPAC Name:

dodecanedioic acid - 2,2',2''-nitrilotriethanol (1:2)

Results and discussion

% Degradation

Parameter:

% degradation (O2 consumption)

Value:

78.1

Sampling time:

28 d

Applicant's summary and conclusion

Executive summary:

The biodegradation potential of the target substance (TS), Dodecanedioic acid, compound with

2,2',2''-nitrilotriethanol (1:2)’, CAS 85030-08-6, EC 285-132-9, was assessed using the validated

QSAR model

CATALOGIC 301C, developed by the Laboratory of Mathematical Chemistry, Bulgaria. The TS was

modeled as a mixture of five constituents, identified analytically, that together add up to > 99% of its

composition.

The model predicts a 28-day biodegradation of 78% for the target substance, with a primary half-life

of < 1 day and an ultimate half-life of 12.78 days. It can be considered to be readily biodegradable.

Both the prediction and the QSAR model are validated according to the OECD principles of validation

of QSAR predictions. The separately attached QMRF provides all pertinent information about the

QSAR model, including information on its training and validation sets.

The target substance can be assessed as 'readily biodegradable' and the prediction is fully in the

model’s

applicability domain and as such, is reliable and robust and can be used for regulatory purposes.

purposes.