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EC number: 251-649-3
CAS number: 33704-61-9
A long-term fish toxicity test can be calculated reliably using the critical body burden approach. This results in a NOEC of 0.21 mg/l.
The NOEC calculation method is based on the critical body burden (CBB)
approach and is presented in ECHA's R.16 Appendix 7.8. The used equation
for long-term fish toxicity is CBB = NOEC x BCF. The CBB for narcotic
type of chemicals is 0.1-1 mMol. Cashmeran can be considered a narcotic
chemical despite the substance containing an alpha,beta-unsaturated
bond. The double bond between the two rings of Cashmeran (the
vinyl-group) has no potential leaving H-groups. On both sides C-atoms
are connected to this bond and these C’s are belonging to ring
structures. Therefore there is no site of attack for enzymes at this
vinyl-site as is also presented by Schultz et al. 2005, discussing
alpha,beta-unsaturated bonds. This double bond within these two ring
structures is therefore unreactive. Also the ketone bond is unreactive,
because of the ring that sterically hinders the reactivity this ketone
bond. This can also be seen in e.g. the liver metabolism profiler of the
OECD Toolbox where this vinyl and/ketone group remain intact (see IUCLID
section 7.1 on toxico-kinetics). In addition, the acute aquatic toxicity
has been calculated using the lethal body burden (LBB) approach
(LBB=LC50 x BCF). The LBB is 1.6 mMol when using the LC50 fish of 2.12
mg/L and the measured BCF of 157 (and molecular weight of 206). This LBB
value shows that for the chronic fish calculation the CBB of 0.16 mMol
can be used. The long-term fish NOEC thus becomes: 0.21 mg/l (0.16 mMol
x MW of 206 = NOEC x 157 (BCF).
Schultz, T.W., Netzeva, T.I., Robert, D.W., and Cronin, M.T.D., 2005,
Structure-Toxicity Relationships for the effect to Tetrahymena
pyriformis of aliphatic carbonyl-containing, alpha,beta-unsaturated
chemicals, Chem. Res. Toxicol., 18, 330 -341.
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