Butanedioic acid, 2-hydroxy-, 1,4-bis[5,7,7-trimethyl-2-(1,3,3-trimethylbutyl)octyl] ester

Endpoint summary

Link to relevant study record(s)

Reference

Endpoint:

basic toxicokinetics, other

Type of information:

other: Assessment based on physicochemical properties

Adequacy of study:

weight of evidence

Study period:

2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: in accordance with (EC) No 1907/2006, Annex VIII, 8.8. column I

Objective of study:

absorption

bioaccessibility (or bioavailability)

distribution

excretion

metabolism

toxicokinetics

Qualifier:

no guideline followed

Principles of method if other than guideline:

The toxicokinetic behaviour of the substance is assessed to the extent that can be derived from the relevant available information.

GLP compliance:

no

Specific details on test material used for the study:

no physical test material used for the assessment

Absorption:

Based on above data the substance is unlikely to be absorbed through the skin in relevant amounts (none of the following apply: molecular weight < 500 g/Mol, -1 < log P_OW< 4, see EUROPEAN COMMISSION HEALTH & CONSUMER PROTECTION DIRETORATE-GENERAL: Guidance Document on Dermal Absorpiton Sanco/222/2000 rev. 7 19 March 2004).

For exposure assessments a value of 10 % of absorption after dermal exposure may be appropriate.

 

Uptake by inhalation after evaporation is unlikely, the substance is a liquid at room temperature and has a very low vapour pressure.

For exposure assessments a default value of 10 % of absorption via inhalation may be appropriate.

The absorption after oral ingestion cannot be calculated due to lack of data; by default absorption of 100 % may be appropriate, until specific data will be available.

 

Distribution:

The substance is very lipophilic and Protein binding may be relevant. The low water solubility may lead to a high distribution volume. Therefore distribution to specific organs is depending not only on blood flow. Crossing of membrane barriers like the Blood/Brain barrier seems unlikely giving the molecular weight and the high lipophilicity of the substance.

 

Metabolism and Excretion:

 

The substance does contain ester functions which are likely target of Phase I Esterase(s). The resulting metabolites do have functional groups ready for Metabolism Phase II reactions. The C18-Alcohol can undergo conjugation to increase the water solubility while malate is a common metabolite in physiological reactions.

Giving the low water solubility and high lipophilicity, Excretion via faeces is rather likely.

Excretion by inhalation and urinary excretion is rather unlikely.

Conclusions:

The toxicokinetic behaviour of the substance was assessed based on its physicochemical properties.
A low bioaccessibility by inhalative and dermal route is likely.
For oral route, no information is present and by default 100% is assumed.
Due to the high log Pow, the substance has a high potential for bioaccumulation.

Key value for chemical safety assessment

Bioaccumulation potential:

high bioaccumulation potential

Absorption rate - oral (%):

100

Absorption rate - dermal (%):

10

Absorption rate - inhalation (%):

10