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Administrative data

Link to relevant study record(s)

Description of key information

Key value for chemical safety assessment

Bioaccumulation potential:
no bioaccumulation potential
Absorption rate - oral (%):
50
Absorption rate - dermal (%):
50
Absorption rate - inhalation (%):
100

Additional information

Although REACH does not specifically require generation of toxicokinetic information, it does require that all relevant available information is used to assess the toxicokinetic behaviour of a substance, and that human health hazard assessment considers the toxicokinetic profile of the substance.

 

Bourgeonal is a small organic molecule and the physico-chemical properties suggest it is likely to be absorbed via dermal, inhalation and gastric routes following exposure.

Acute and subchronic toxicity data indicate that Bourgeonal is absorbed following administration by gavage and metabolised by the liver. No specific studies on the absorption, distribution, metabolism and elimination (ADME) of are available. However the very low toxicity of Bourgeonal suggests that it may be considered inappropriate at this time to conduct further animal work to support ADME.

 

Bourgeonal: (Target)

Molecular weight: 190.29 Da

Water solubility: 132 mg/L in ultrapure water

Partition coefficient: log Kow = 3.2

 

The following remarks on the toxicokinetics of Bourgeonal are based on the available studies.

 

Experimental toxicokinetic studies were not available.

No specific studies on the absorption, distribution, metabolism and elimination (ADME) of Bourgeonal are available. However the very low toxicity of Bourgeonal suggests that it may be considered inappropriate at this time to conduct further animal work to support ADME.

 

ABSORPTION

The physicochemical characteristics of Bourgeonal (log Pow 3.2) and the molecular mass are in a range suggestive of absorption from the gastro-intestinal tract subsequent to oral ingestion. This assumption of oral absorption is confirmed by the data from the subchronic oral toxicity.

 

N-octanol/water partition coefficient and molecular weight of Bourgeonal are in ranges which favour dermal absorption.

 

DISTRIBUTION and METABOLISM

As a small molecule a wide distribution is expected. This assumption is confirmed by the changes shown in the repeated dose toxicity studies following oral application.

 

Study:

Toxicity Study by Oral Gavage Administration to Sexually Mature Male CD Rats for 5 Days

At theend of a 5 Day study on Bourgeonal dosed at 25, 100 and 250 mg/kg bw, animals were placed overnight in an individual metabolism cage without food. Urine samples were collected after administration of the fifth dose for a maximum of 22 hours. Samples were subsequently analysed for 4-tert-butylbenzoic acid, 4-iso-butylbenzoic acid and 4-iso-propylbenzoic acid. Bioanalysis was subject to the satisfactory validation of the bioanalytical method, which was performed as part of this study prior to analysis of the study samples. Treatment with Bourgeonal was associated with marked systemic toxicity and testicular/epididymal toxicity, and the urine contained TBBA, a known metabolite biomarker of testicular toxicity in rats.

 

ELIMINATION

The n-Octanol/water partition coefficient (log Pow 3.2) is suggestive of accumulation of unchanged Bourgeonal in fatty tissues subsequent to absorption from gastrointestinal tract or from lungs.

 

The following information is taken into account for any hazard / risk assessment:

 

Experimental toxicokinetic studies are not available. The log Pow 3.2 is suggestive of accumulation of unchanged Bourgeonal in fatty tissues subsequent to absorption from gastro-intestinal tract or from lungs.