2-Propenoic acid, 2-fluoro-, methyl ester

Endpoint summary

Description of key information

There are no toxicokinetic studies available for this substance however an assessment of the likely toxicokinetic properties can be made from the available phys-chem and toxicology data.

The substance is a light brown liquid that remains liquid to <20°C. Its measured boiling point is 89.8 ± 1.0 °C (362.9 ± 1.0 K) at 99.4 kPa. The molecular weight is low at 104.08 g/mol. The mean measured Log P (octanol-water) is 0.931 and the mean measured water solubility is 25.9 g/l at 20 degC. Therefore it is moderately soluble in water. The vapour pressure value 7.1 x 103Pa at 25 degC shows that the substance is a moderately volatile at room temperature (akin to ethanol).

Absorption: There are no specific ADME data on the extent to which the substance absorbs across the gut, lungs or skin. The level of absorption will depend upon the solubility in the solvent/vehicle carrying it into the body. It is a low molecular weight chemical and therefore, if solubilised could undergo some absorption across the gut. The two main potential routes of exposure are via ingestion or dermal contact. Severe acute toxicological effects seen in the acute dosing study at 300 mg/kg using oral gavage, suggest that the majority of this dose given orally is likely to have absorbed systemically across the gut. In dosing oral toxicological studies, arachis oil was chosen as the vehicle. Its logPo/w, water solubility and low molecular weight would make for a good expected level of absorption across the gut. There are no specific skin absorption data. Given the low logPo/w, this material is not optimal for skin penetration, but it is of low molecular weight. The acute dermal LD50 is high at >2000 mg/kg, suggesting dermal absorption is low. This compound may also be expected to volatilise from the skin surface. The substance is not irritant/corrosive and therefore no damage to the skin barrier is expected upon contact.

Distribution: There are observations of pale liver and pale kidney, from the acute toxicity study at 300 mg/kg that the substance could have reached these particular organs. The high level of systemic toxicity seen acutely, would also suggest distribution to major organs had occurred. Given the water solubility and low molecular weight it would be expected that this substance would distribute quickly around the body to most if not all organs.

Metabolism: The substance would be expected to hydrolyse via ubiquitous esterase enzymes in the body to methanol and 2-fluoropropenoic acid.

Excretion: There is no evidence to indicate the route of excretion. Any substance that is mainly absorbed across the gut will be excreted predominantly in the urine. These small molecules would be expected to be cleared by the liver and kidney.