Registration Dossier
Registration Dossier
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EC number: 916-331-7 | CAS number: -
Endpoint summary
Administrative data
Description of key information
Additional information
Abiotic degradation
Air: Based on estimation with the QSAR model AOPWIN, (version 4.10, EpiSuite 2013, CC(C)C(=O)OC3CC1CC3C2CC=CC12), Cyclabute undergoes in air rapid degradation after reaction with hydroxyl radicals or ozone. The DT50 values of the substance after reaction with hydroxyl radicals and ozone are 1.9 hours and 1.4 hours, respectively. This estimated half-life time is much shorter than 2 days, which is the cut off time for reaching the stratosphere. Cyclabute is therefore not expected to reach the stratosphere and is not a long-range transported chemical in air.
Cyclabute does not have an ozone depletion potential because it does not contain halogens and does not have the potential to reach the stratosphere EU CLP (EC no 1272/2008 and its amendments).
Water: The abiotic degradation in water of Cyclabute is based on read-across information from a study performed on the structurally related substance Cyclobutanate. This latter substance has a straight butyl chain instead of a branched butyl chain of Cyclabute. In view of this close similarity the hydrolysis information of Cyclobutanate can be used for Cyclabute. The half-life time of Cyclobutanate at 25°C is >1 year at pH 4 and 7, whereas the half-life is determined to be 13 days at pH 9. The same values can be used for Cyclabute.
Biotic degradation
Biodegradation screening test: Based on a manometric respirometry test according to OECD 301F Cyclabute is not readily biodegradable (22% biodegradation after 28 days). Cyclabute showed primary biodegradation and Cycla-alcohol was determined as the primary degradant.
Bioaccumulation
Aquatic organisms: The BCF growth and lipid corrected is 309 l/kg based on OECD TG 305 and Gobas and Lee, 2019.
Terrestrial organism: For the estimation of the bioaccumulation for the terrestrial compartment the BCF, calculated according to EUSES and using the log Kow of 5.1 resulting in a BCF of 1510. Due to uncertainties in the metabolic capacity of earthworms the log Kow has been used to predict the BCF for earthworms. This is a very conservative approach because predators of earthworms are expected to metabolise Cyclabute into its alcohol and therefore the BCF for terrestrial organism is expected to be < 1510.
Air-breathing organisms
The bioaccumulation in air-breathing organisms is considered negligible based on the de-esterification of Cyclabute to Cycla-alcohol in the STP (see biodegradation) in the body. After this Phase I metabolism, Phase II glucuronidation of this secondary Cycla-alcohol will occur and this results in kidneys being the key excretion pathway. DT50 is calculated to be 0.34 day by BCFBAF. (For references see Toxico-kinetic section).
Transport and distribution
Adsorption/Desorption: Experimental adsorption/desorption information is not available for Cyclabute. Information from Cyclobutanate, other Cycla-esters and QSAR predictions are used to predict the Koc for Cyclabute. The slightly higher log Kow value of Cyclabute compared to Cyclobutanate is taken into account to derive the final log Koc value for Cyclabute resulting in 3.5 or the Koc of 3162. This indicates that the substance as such will have a moderate potential to adsorb to sediment/soil.
Henry's law: To assess the volatilisation potential of the substance a Henry's law constant was calculated (using EUSES) which gave a result of 8.4 Pa. m3/mol at 25°C, which results in 4 Pa.m3/mol at 12oC. It can be concluded that volatilisation is of minor importance in the environmental behaviour of Cyclabute.
Mackay distribution modelling: Based on Level III distribution modelling using EPISUITE (assuming equal and continuous releases to air, water and soil) using the SMILES notation of Cyclabute and the measured physico-chemical parameters as input, it is estimated that the majority of the substance released to the environment will partition mainly into soil (80%) and water (19%) with small amounts to sediment and air (1.2% and 0.15% respectively).
Sewage treatment plant modelling: The SimpleTreat model, which is incorporated in EUSES, simulates the distribution of the substance in a Sewage Treatment Plant based on vapour pressure, water solubility, log Kow and (non) ready biodegradability. The model predicts that 68% of the substance will partition to water, 27% to sewage sludge and 5% to air.
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