2,2'-butyliminodiethanol

Basic toxicokinetics

Administrative data

Endpoint:

basic toxicokinetics

Type of information:

other: expert statement

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: An extended assessment of the toxicokinetic behaviour of butylethanolamine was performed, taking into account the chemical structure, the available physico-chemical data and the available toxicity data.

Data source

Reference

Reference 1

Reference Type:

other: Expert statement

Title:

Unnamed

Year:

2015

Report date:

2015

Reference 2

Reference Type:

other: prediction by the OECD QSAR Toolbox

Title:

Unnamed

Year:

2015

Report date:

2015

Materials and methods

Objective of study:

absorption

distribution

excretion

metabolism

Test guideline

Qualifier:

according to guideline

Guideline:

other: expert statement according to the TGD, Part I, Annex IV, 2003); ECHA Guidance R7c., 2014

Deviations:

no

Principles of method if other than guideline:

An assessment of toxicological behaviour of butylethanolamine is based on its physico-chemical properties and on the results of available toxicity data.

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

2,2'-butyliminodiethanol

EC Number:

203-055-0

EC Name:

2,2'-butyliminodiethanol

Cas Number:

102-79-4

Molecular formula:

C8H19NO2

IUPAC Name:

2-[butyl(2-hydroxyethyl)amino]ethan-1-ol

Radiolabelling:

no

Test animals

Sex:

male/female

Administration / exposure

Route of administration:

other: oral (unspecified), dermal, inhalation

Results and discussion

Main ADME results

Main ADME results 1

Type:

absorption

Results:

BDEA is expected to be well absorbed orally, based on the systemic effects in the acute oral toxicity study in rats, its molecular weight of 161.24 g/mol, water solubility of > 10,000 mg/L and LogPow of 0.58.

Main ADME results 2

Type:

absorption

Results:

Absorption by inhalation is negligible due to the low vapour pressure (1.2 Pa).

Main ADME results 3

Type:

absorption

Results:

Absorption through the skin is expected to be low due to very high water solubility (> 10,000 mg/L).

Main ADME results 4

Type:

distribution

Results:

Butyldiethanolamine is expected to distribute into the inner of cells and into the intravascular compartment. The substance does not indicate a significant potential for accumulation.

Metabolite characterisation studies

Metabolites identified:

yes

Details on metabolites:

Predicted metabolites:
- hydroxyl derivatives 4-[bis(2-hydroxyethyl)amino]butan-2-ol);
- diethanolamine;
- butylethanolamine (BEA);
- ethanolamine;
- butylamine;
- product of N-oxidation (2-[butyl(2-hydroxyethyl)nitroryl]ethanol);
- butanal;
- hydroxyacetaldehyde;
- butanoic acid;
- hydroxyacetic acid;
- oxoacetic acid

Applicant's summary and conclusion

Conclusions:

Interpretation of results: no bioaccumulation potential based on study results
Butyldiethanolamine is not expected to bioaccumulate.

Executive summary:

Butyldiethanolamine is expected to be well absorbed orally, based on the systemic effects in the acute oral toxicity study in rats, its low molecular weight (161.24 g/mol), high water solubility (> 10,000 mg/L) and LogPow of 0.58. Concerning the absorption after exposure via inhalation, as the chemical has vapour pressure of 1.2 Pa (a value not indicative for absorption by inhalation), it is clear, that the substance is marginally available for inhalation. Given its lipophilicity (LogPow 0.58) - if absorbed - it is expected to be absorbed directly across the respiratory tract epithelium or through aqueous pores and/or be metabolized by the alveolar and bronchial tissue. Butyldiethanolamine is not expected to be absorbed following dermal exposure into the stratum corneum and into the epidermis, due to its high hydrophilicity. Moreover, the absence of irritating properties of Butyldiethanolamine cannot enhance absorption through the skin. Butyldiethanolamine is expected to distribute into the inner of cells and into the intravascular compartment. The substance does not indicate a significant potential for accumulation. Butyldiethanolamine is expected to be metabolised via Phase I reactions leading to hydroxylated derivatives and/or derivatives of oxidative deamination. Further, they can either be involved into intermediary metabolism for further oxidative reactions or be excreted. Butyldiethanolamine and its metabolites are expected to be eliminated mainly via the urine.