Registration Dossier
Registration Dossier
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EC number: 249-047-0 | CAS number: 28473-19-0
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The soil sorption coefficient for DIDS was predicted to be 28400000 L/kg (log Koc 7.45) using the OECD QSAR Toolbox (OECD, 2012).
Key value for chemical safety assessment
- Koc at 20 °C:
- 28 400 000
Additional information
In accordance with column 2 of REACH Annex VIII, an absorption / desorption screening test (required in section 9.3.1) does not need to be conducted as DIDS and its relevant degradation products decompose rapidly (i.e. DIDS is readily biodegradable).
A QSAR analysis was, however, used to predict the soil sorption coefficient (Koc) of DIDS. EPI Suite, via the OECD QSAR Toolbox (v.3.0) (OECD, 2012), estimated a Koc of 2.84 x 107 L/kg (log Koc: 7.45) from its predicted octanol/water partition coefficient (Kow). A different method (MCI model) predicted a Koc of 3.65 x 106 L/kg (log Koc: 7.20). Neither method had a defined domain. According to the ECHA guidance, such predictive methods are useful to indicate the qualitative/quantitative adsorption coefficient, and may, in some cases, be sufficient for this endpoint (ECHA, 2012b).
Henry's law constant has been estimated using the HENRYWIN (v3.20) program from EPI Suite v4.10 (US EPA, 2011) to be 50.4 Pa-m3/mole and 34.2 Pa-m3/mole by the bond contribution and group contribution methods, respectively. As an approximation (stated within REACH guidance) if Henry's law constant is greater than 100 Pa.m3/mol, more than 50% of the substance could be lost from the water phase in 3-4 hr (ECHA, 2012d).
Relevant read-across data:
A Koc value of 5.6 x 105 (log Koc: 5.75) was estimated for DEHS (Meylan et al. 1992). A predicted log Koc of 5.8 was similarly reported (ACC, 2010).
According to a classification scheme (Swann et al. 1983), substances with Koc values above 5000 (like both DIDS and DEHS) are immobile in soil. Both substances are expected to behave similarly. This supports the use of DEHS for read-across purposes.
References
ECHA (2012d). Guidance on information requirements and chemical safety assessment. Chapter R.7b: Endpoint specific guidance. Version 1.2. November 2012. Report no.: ECHA-12-G-22-EN. Owner company: European Chemicals Agency. http://echa.europa.eu/documents/10162/13632/information_requirements_r7b_en.pdf
HSDB (2003). Hazardous Substances Data Bank. Bis(2-ethylhexyl) sebacate. Last revised 14 February 2003.
Meylan WM, Howard PH and Boethling RS (1992). Molecular topology/fragment contribution method for predicting soil sorption coefficients. Environmental Science and Technology 26, 1560-1567 (cited in HSDB, 2003).
Swann RL, Laskowski DA, McCall PJ, Vander Kuy K and Dishburger HJ (1983). A rapid method for the estimation of the environmental parameters octanol/water partition coefficient, soil sorption constant, water to air ratio, and water solubility. Residue Reviews 85, 17 -28.
US EPA (2011). US Environmental Protection Agency. Estimation Programs Interface (EPI) Suite for Microsoft Windows, v 4.10.
[LogKoc: 7.45]
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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