Registration Dossier
Registration Dossier
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EC number: 411-490-4 | CAS number: 7027-11-4 ISOPHORONENITRILE, IPN
Endpoint summary
Administrative data
Description of key information
Additional information
According to a Mackay Level I model calculation, the main target compartment for 3-cyano-3,5,5-trimethylcyclohexanone will be the hydrosphere (99.7 %), followed by air (0.2 %). The calculated Henry’s Law constant of 0.0056 Pa m³/mol at 20 °C indicates low volatility of 3-cyano-3,5,5-trimethylcyclohexanone from surface waters. With a calculated Koc of 32.22 l/kg , the sorption potential of 3-cyano-3,5,5-trimethylcyclohexanone to soil or sediment organic matter is expected to be very low (Blume scale).
The QSAR calculated rate constant for the OH sensitized photodegradation of 3-cyano-3,5,5-trimethylcyclohexanone is approximately 3.64E-12 cm3/(molecule * s) (AopWin Computer Program, Vers. 1.92, integrated in U.S. EPA's EPI program Vers. 3.20). At 500,000 OH radicals / cm3 (approximate 24-hour mean in central Europe), this corresponds to a half-life of 4.4 days.No biodegradation was observed within the first 28 days of the test period in a Modified Screening Test according to OECD TG 301 E. Hence 3-cyano-3,5,5-trimethylcyclohexanone is considered as not readily biodegradable. The hydroloytic degradation of 3-cyano-3,5,5-trimethylcyclohexanone is less than 10 % after 120 h at pH 4, 7, and 9. This corresponds to half-lives t1/2 >1 year at 25 °C for these three pH values, indicating that 3-cyano-3,5,5-trimethylcyclohexanone is hydrolytically stable under environmental conditions.
The log Kow of 3-cyano-3,5,5-trimethylcyclohexanone was determined as 0.96 at 25 °C, indicating insignificant potential for bioaccumulation.
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