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Environmental fate & pathways

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Bioaccumulation: aquatic / sediment

From BCFBAF (v3.00) model of EPI suite and PBT profiler the estimated bio concentration factor (BCF) for Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt is 3.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt  is not expected to bio accumulate in the aquatic environment.

Additional information

Bioaccumulation: aquatic / sediment

Three studies including predicted result from validated model and experimental data from authorative database for bioaccumulation endpoint of test chemical Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt (Cas no. 3087-16-9) with relevant read across which is structurally similar to target were reviewed as follows:

First prediction report indicate from BCFBAF (v3.00) model of EPI suite and PBT profiler the estimated bio concentration factor (BCF) for Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt is 3.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt not consider to bio accumulate in the aquatic environment.

Above estimated result of target supported by read across chemical malachite green (N-(4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride –Cas no. 569-64-2), indicates from authorative database HSDB an estimated BCF of 3 was calculated for malachite green(N-(4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride), using a log Kow of 0.62 and a regression derived equation.This BCF suggests the potential for bioconcentration in aquatic organisms is low.

One another read across chemical gentian violet (N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride -Cas no.548-62-9) from same data source i.e HSDB database also assist to above both results as BCF of 3 observed using a log Kow of 0.51 and a regression derived equation. This BCF suggests the potential for bioconcentration in aquatic organisms is low.

From all studies BCF value observed in the range of 3-3.2 (L/Kg or dimensionless) which gives the common conclusion as test chemical Hydrogen [4-[4-(dimethylamino)-α-(2-hydroxy-3,6-disulphonato-1-naphthyl)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium salt (Cas no. 3087-16-9) is non bio accumulative in the aquatic environment.