Amines, C12-14-tert-alkyl, C14-18 and C18-unsatd.-alkyl phosphates

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 the UVCB substance 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:

2013

Report date:

2013

Reference 2

Reference Type:

other: Prediction by the OECD QSAR Toolbox

Title:

Unnamed

Year:

2013

Report date:

2013

Materials and methods

Objective of study:

absorption

distribution

excretion

metabolism

Test guideline

Qualifier:

according to guideline

Guideline:

other: TGD, Part I, Annex IV, 2003); ECHA guidance R7c., 2008

Deviations:

no

Principles of method if other than guideline:

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

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Reaction Products of alcohols, C14-18, C18 unsat., esterified with phosphorus pentoxide and salted with amines, C12-14,-tert-alkyl

EC Number:

939-591-3

Cas Number:

1471315-74-8

Molecular formula:

Not available

IUPAC Name:

Reaction Products of alcohols, C14-18, C18 unsat., esterified with phosphorus pentoxide and salted with amines, C12-14,-tert-alkyl

Test material form:

other: liquid

Results and discussion

Main ADME results

Main ADME results 1

Type:

absorption

Results:

Low absorption potential via all exposure routes is due to the large molecule size (MW of > 533.82 < 784.29 g/mol), high lipophilicity (LogPow of 8.0) and low water solubility (1.64 mg/L).

Main ADME results 2

Type:

distribution

Results:

Entering the body, no wide distribution is expected due to the large molecule size.

Main ADME results 3

Type:

metabolism

Results:

If absorbed, hydroxylation of C atoms of the carbon chains is the primary reaction expected (Phase I) with subsequent conjugation reactions (Phase II).

Main ADME results 4

Type:

excretion

Results:

Conjugated metabolites are expected to be excreted via the urine or via the faeces.

Metabolite characterisation studies

Metabolites identified:

yes

Details on metabolites:

Derivatives of hydroxilation, oxidation reactions and hydrolysis (only in GI tract).

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): low bioaccumulation potential based on study results
Low bioaccumulation potential is predicted for the target UVCB substance based on the high lipophilicity (LogPow of 8.0).

Executive summary:

An assessment of toxicokinetic behaviour of the UVCB target substance was performed, taking into account the chemical structure, the available physico-chemical-data and the available toxicity data. The substance is not expected to be absorbed from GI tract by passive diffusion. A high systemic availability via dermal and inhalation routes is unlikely. If absorbed, it is expected to be predominantly distributed into fatty tissues due to its MW of > 533.82 < 784.29 and low water solubility (1.64 mg/L). The substance can enter the cell inner (LogPow of 8.0) only to alimited extent. Low risk for accumulation is expected for the UVCB target substance (LogPow is >4.0). Possible reactions: hydroxylation, oxidation and hydrolysis (only dialkyl phosphate ester) by Phase I enzymes with subsequent conjugation reactions. Conjugates are expected to be excreted via the urine or via the faeces. Parent compound is expected to be excreted via the faeces.