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EC number: 208-807-1
CAS number: 542-28-9
Based on its physico-chemical characteristics, Delta-Valerolactone is considered to be bioavailable after oral absorption. Absorption after inhalation and dermal absorption of Delta-Valerolactone is expected to be unlikely or moderate. Following uptake the compound can be distributed through the body thereby a pronounced metabolism is not expected. It is expected that Delta-Valerolactone will be excreted rapidly via the urine.
In line with chapter R.7 c (ECHA,
2012) the main toxicokinetic properties of Delta-Valerolactone are
assessed on the basis of its physico-chemical properties and with
special regard to the results of the standard toxicity studies performed
with this substance. Specific toxicokinetics or dermal absorption
studies are not available for the substance.
1. Relevant physico-chemical
properties of CAS number 542-28-9
Molecular weight: 100.12 g/mol
log Pow: 0.185 (at 25 °C,
Water solubility: miscible (at 20 °C)
Vapour pressure: 0.088 hPa (20 °C)
Boiling point: 230 °C (no
data available for the atm. pressure)
Hydrolysis: No data available
Surface tension: Based on chemical
structure, no surface activity is predicted.
Particle size: Substance is a liquid.
Generally, Delta-Valerolactone as a
small molecule with a molecular weight of 100.2 g/mol is favourable for
absorption. Delta-Valerolactone may pass through aqueous pores or be
carried through the epithelial barrier by the bulk passage of water, as
the test compound is miscible with water. Further a log Pow of 0.185
indicates that Delta-Valerolactone is favourable for absorption by
passive diffusion or by passive absorption directly across the
respiratory tract epithelium. Alkaline conditions and esterases degraded
Delta-Valerolactone to the more polar degradation product
5-Hydroxyvaleric acid, which is less absorbed as Delta-Valerolactone
itself. Therefore it could be concluded that Delta-Valerolactone
administered orally will be absorbed 50% less as via the inhalation
route. Absorption of Delta-Valerolactone via vapour is unlikely as
vapours of very hydrophilic substances may be retained within the mucus.
Dermal absorption is expected to be moderate with respect to the
physic-chemical properties of Delta-Valerolactone.
It is likely that Delta-Valerolactone
as a small water soluble molecule will diffuse through aqueous channels
and pores, but may not cross cell membranes and will not be distributed
to the central nervous system. This conclusion is supported by the
results obtained in the general toxicity studies performed with
Delta-Valerolactone, where no toxicity related clinical signs nor CNS
related signs were observed.
Generally, metabolism will render a
xenobiotic molecule more polar and harmless, leading to fast and
quantitative excretion. For Delta-Valerolactone, no conversion into a
metabolite that was more cytotoxic or more genotoxic than the parent
substance was noted when comparing in vitro test results with metabolic
activation to in vitro test results without metabolic activation system
(genetic toxicity tests). Thus, the formation of reactive metabolites in
vivo is unlikely.
Delta-Valerolactone will likely be
excreted with the urine as the molecule is good water soluble with a low
molecular weight of 100.2 g/mol.
Substances with log Pow values of 3 or
less are unlikely to accumulate with the repeated intermittent exposure
pattern normally encountered in the workplace but may accumulate if
exposures are continuous. Based on its log Pow of 0.185 and the good
water solubility, it is unlikely that the Delta-Valerolactone has a
potential to bioaccumulate in the human body.
5. Generic absorption rates
Based on the above information and due
to the fact that there are no specific toxicokinetic data available the
generic values of 50 % for oral absorption, 100 % for inhalation
absorption as well as 50% for dermal absorption were derived.
- ECHA (2012). Guidance on information
requirements and chemical safety assessment, chapter R.7c: Endpoint
specific guidance. ECHA-12-6-23-EN.R.7.12 Guidance on Toxicokinetics.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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