1-(3-sulphonatopropyl)pyridinium

Dermal absorption

Administrative data

Endpoint:

dermal absorption

Type of information:

other: Expert statement

Adequacy of study:

key study

Study period:

2014

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: An extensive Assessment of the toxicological behaviour of 3-(1-Pyridinio)-1-propanesulfonate was performed, taking into account the chemical structure, the available physico-chemical-data and the available (eco-)toxicological data.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2012

Report date:

2014

Materials and methods

Test guideline

Qualifier:

no guideline required

Principles of method if other than guideline:

Prediction based on the physico-chemical properties and on the toxicological data.

Test material

Test material information

Constituent 1

Reference substance name:

3-(1-Pyridinio)-1-propanesulfonate

IUPAC Name:

3-(1-Pyridinio)-1-propanesulfonate

Constituent 2

Reference substance name:

1-(3-sulphonatopropyl)pyridinium

EC Number:

239-491-3

EC Name:

1-(3-sulphonatopropyl)pyridinium

Cas Number:

15471-17-7

Molecular formula:

C8H11NO3S

IUPAC Name:

1-(2-hydroxy-3-sulphonatopropyl)pyridinium

Results and discussion

Percutaneous absorption

Parameter:

percentage

Absorption:

50 %

Remarks on result:

other: 3-(1-Pyridinio)-1-propanesulfonate is expected to be absorbed to a limited extent following dermal exposure into the stratum corneum and into the epidermis, due to its high water solubility (240.5 g/L) and negative LogPow (-2.78).

Any other information on results incl. tables

Absorption following dermal exposure

In order to cross the skin, a compound must first penetrate into the dead stratum corneum and may subsequently reach the viable epidermis, the dermis and the vascular network. The stratum corneum provides its greatest barrier function against hydrophilic compounds, whereas the viable epidermis is most resistant to penetration by highly lipophilic compounds. Substances with a molecular weight below 100 g/mol are favourable for penetration of the skin and substances above 500 g/mol are normally not able to penetrate. The molecular weight of 3-(1-pyridinio)-1-propanesulfonate (201.24 g/mol) is in the range favourable for absorption. The substance must be sufficiently soluble in water to partition from the stratum corneum into the epidermis. However, 3-(1-Pyridinio)-1-propanesulfonate may be too hydrophilic to cross the lipid rich environment of the stratum corneum due to its very high water solubility (240.5 g/L) and logP_owof -2.78. Absorption of 3-(1-pyridinio)-1-propanesulfonate into the stratum corneum via its partition from the air can be ruled out due to the low vapour pressure of the substance (4.24 E-05 Pa at 25 °C). The substance is neither a skin irritant nor corrosive, therefore no enhancement of dermal absorption is expected due to the damage of the skin surface. The systemic toxicity of 3-(1-pyridinio)-1-propanesulfonate via the skin is low. This has been proved by the results of the acute dermal toxicity study, which showed no mortality after dermal application of 2000 mg/kg bw in rats (Driscoll, 2001). During the whole absorption process into the skin, the compound may be subject to biotransformation.

Based on this knowledge, 3-(1-pyridinio)-1-propanesulfonate is expected to be absorbed following dermal exposure to a limited extent into the stratum corneum and from there into the epidermis, due to its negative logP_ow(-2.78) and high water solubility (240.5 g/L). The molecular weight of 201.24 g/mol (< 500 g/mol) points to a moderate absorption through the skin. Therefore, 50 % dermal absorption is considered appropriate for the hazard assessment (DNEL derivation).

Applicant's summary and conclusion

Conclusions:

An extensive Toxicological Statement for 3-(1-Pyridinio)-1-propanesulfonate was performed (expert statement), taking into account the chemical structure, the available physico-chemical-data and the available (eco-)toxicological data.

Executive summary:

In order to assess the toxicological behaviour of 3-(1-pyridinio)-1-propanesulfonate, the available and predicted physico-chemical and toxicity data have been evaluated. The substance is expected to be well absorbed after oral exposure, based on its low molecular weight, its high water solubility and its logP_owof < -2.78. Concerning the absorption after exposure via inhalation, as the chemical has a low vapour pressure, it is clear, that the substance has a low availability for inhalation. Given its hydrophilicity (logP_owof < -2.78), if any of the substance is available for inhalation, it is expected to be absorbed directly through aqueous pores. Moreover, the average particle size is 32.1 µm (< 100 µm), indicating the potential to be inspired. 3-(1-Pyridinio)-1-propanesulfonate is expected to be absorbed to a limited extent following dermal exposure into the stratum corneum and into the epidermis, due to its high water solubility and its logP_ow. The substance is expected to be extensively and wide distributed throughout the body into the intravasal compartment. The substance does not bear accumulative potential after repeated exposures. 3-(1-Pyridinio)-1-propanesulfonate is expected to be metabolised via the Cytochrome P450 group of metabolizing enzymes. However, elimination of unchanged or metabolised substance will occur mainly via the urine, either without or after conjugation to glucuronic acid, activated sulphate or activated methionine.