Dodecanenitrile

Endpoint summary

Description of key information

Bioaccumulation: aquatic / sediment

Using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor over the entire pH scale (pH 0 -14) of the test substance Dodecanenitrile (CAS no. 2437 -25 -4) was estimated to be 2940. This value indicates that the test substance Dodecanenitrile was considered to be bioaccumulative in aquatic organisms.

Additional information

Bioaccumulation: aquatic / sediment

Experimental study and various predicted data for the target compound Dodecanenitrile (CAS No. 2437-25-4) were reviewed for the bioaccumulation end point which are summarized as below:

 

In a prediction done byUsing Bio-concentration Factor (v12.1.0.50374) moduleACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), theBCF over the entire pH scale (pH 0 -14) of the test substance Dodecanenitrile (CAS no. 2437 -25 -4) was estimated to be 2940.

 

In a supporting study from peer reviewed journal (K. Walsh et. al; 1994), bioaccumulation experiment in Austrocochlea constricta (gastropod mollusc) was carried out for evaluating the bioaccumulation potential of the test chemical Dodecanenitrile (CAS no. 2437-25-4). The gastropod mollusc Austrocochlea constricta was collected from four marine locations (i.e, Newcastle Harbour, Merewether, Swansea and Wangi, respectively) within the Newcastle region of New South Wales, Australia. The population densities of Austrocochlea and the associated distributions of shell banding pattern classes were recorded for each location. Midtidal pools at Merewether, Swansea, and Newcastle Harbour entrance and runnels at Wangi were selected from areas at approximately the same height above the low tide mark and in direct sunlight, and then divided into a grid of quadrats in which each quadrat was allocated a number. Population densities (number of individuals/quadrat) were randomly determined from at least 20 of the numbered quadrats and the size distribution of each population (height and width of the shell of each individual) recorded using Vernier callipers. Live individuals were transported to the laboratory within 1 h on two frozen Ice Paks TM . Whole organisms were snap frozen in the laboratory in liquid nitrogen for at least 1 min and placed in clean, acid-washed glass or polycarbonate vessels and freeze-dried, using a Dynavac FD5 Freeze Drier for 24 h. The dried tissues were separated from the shell, the dry weight of each organism recorded and both fractions ground separately, using a morter and pestle to yield a fine powder. The shell and soft tissue of each individual were stored in Eppendorf tubes at - 15°C prior to subsequent analyses. The test chemical was extracted from the soft tissue and the shell of the mollusc for analysis using atomic absorption spectroscopy (AAS) and gas chromatography-mass spectroscopy (GC-MS).Test chemical Dodecanenitrile was evaluated to bioaccumulate in the gastropod mollusc Austrocochlea constricta isolated from the test locations Merewether in the Newcastle region.

 

Bioconcentration Factor (BCF) of test chemical Dodecanenitrile (CAS no. 2437 -25 -4) was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance Dodecanenitrile was estimated to be 4577.26 at both pH 5.5 and 7.4, respectively.

 

Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical Dodecanenitrile (CAS No. 2437 -25 -4). The bioconcentration factor (BCF) of Dodecanenitrile was estimated to be 2450 (at 25 deg C).

 

On the basis of above results for target chemical Dodecanenitrile (from peer reviewed journal, ACD lab database, ChemSpider and Scifinder,2017), it can be concluded that the BCF value of test substance Dodecanenitrile ranges from 2450 – 4577.26, which exceeds the bioconcentration threshold of 2000, indicating that the chemical Dodecanenitrile is expected to bioaccumulate in the food chain.