Registration Dossier
Registration Dossier
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EC number: 238-936-9 | CAS number: 14866-33-2
Endpoint summary
Administrative data
Description of key information
Adsorption/Desorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical Tetraoctylammonium Bromide (CAS No. 14866-33-2) was estimated using EPI suite KOCWIN Program (v2.00) as 235200000 L/kg (log Koc= 8.3714) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical Tetraoctylammonium Bromide has very strong sorption to soil and therefore have negligible migration potential to ground water.
Additional information
Adsorption/Desorption:
Predicted data for target chemical Tetraoctylammonium Bromide (CAS No. 14866-33-2) and supporting weight of evidence studies for its read across chemical were reviewed for adsorption endpoint and their results were summarized below.
In a prediction done by using EPI suite (Estimation Program Interface, 2017) KOCWIN Program (v2.00) Soil Adsorption Coefficient i.e. Koc value of test chemical Tetraoctylammonium Bromide (CAS No. 14866-33-2) was estimated using as 235200000 L/kg (log Koc= 8.3714) by means of MCI method at 25 deg. C..
Another prediction done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption coefficient i.e KOC for test substance tetraoctylammonium bromide (CAS no.14866-33-2) was estimated to be 28200 L/kg (log Koc = 4.4502) it is based on the 5 OECD principles.
In a supporting weight of evidence study for read across chemical n-pentacosane (CAS no.629-99-2) from authoritative database Hazardous Substance Data Bank ( HSDB, 2017) Koc value was estimated using an estimated log Kow of 12.62 and a regression derived equation. The estimated Koc value was 12000000 dimensionless and log Koc is 7.0791.
In another supporting weight of evidence study for read across chemical dimethyl(dioctadecyl)azanium chloride (CAS no.107-64-2) from same source as mentioned above ( HSDB, 2017) the Koc Value was estimated by using a log Kow of 3.80 and a regression-derived equation. The estimated Koc value is 10000000000 dimensionless and log Koc is 10.0
On the basis of above results for target chemical Tetraoctylammonium Bromide (CAS no.14866-33-2) (from EPI suite and Comptox Chemistry Dashboard, 2017), and for its read across chemical (From HSDB, 2017) it can be concluded that the Koc value of test substance tetraoctylammonium bromide ranges from 28200 to 235200000 dimensionless and log koc ranges from 4.4502 to 8.3714 indicating that the test chemical tetraoctylammonium bromide has very strong sorption to soil and sediment and therefore have negligible migration potential to groundwater.
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