Registration Dossier
Registration Dossier
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EC number: 249-047-0 | CAS number: 28473-19-0
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
In a GLP study conducted according to OECD Guideline 117, the partition coefficient of DIDS was determined to be more than 3200000 (log Pow > 6.5) using the HPLC method (Walker, 2013).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.5
- at the temperature of:
- 30 °C
Additional information
In a GLP study, conducted according to OECD Guideline 117, the partition coefficient of DIDS was determined to be more than 3.2 x 106 (log Pow > 6.5) using the high performance liquid chromatography (HPLC) method (Walker, 2013).
In addition, the OECD QSAR Toolbox (v.3.0) predicted a Log Kow of 12 or Log Pow (Log Kow) of 12.2 using EPI Suite (KOWWIN v1.68) and Multicase, respectively. Neither model had a defined domain (OECD, 2012).
Relevant read-across data:
DIDA has an estimated Log Kow of 10.1 (Meylan and Howard, 1995).
A number of partition coefficients have been predicted for DEHS and DOS, with Log Kow values greater than 3 (and about 10 in many cases) (ACC, 2010; INEOS Enterprises, 2009c; OECD, 2012).
DIDA, DEHS and DOS all have high Log Kow values, supporting the use of these compounds for read-across purposes for DIDS.
References
INEOS Enterprises (2009c). CEREPLAS™ DOS. Safety Data Sheet. Date 06/2009, rev. 03 (UK03).
Meylan and Howard (1995). Atom/fragment contribution method for estimating octanol-water partition coefficients. J Pharm Sci 84, 83-92 (cited in SRC). [Probably this source – bibliographic details are not given in SRC.]
SRC (2013). Syracuse Research Corporation. Interactive PhysProp Database Demo. Record for Diisodecyl adipate.http://www.syrres.com/what-we-do/databaseforms.aspx?id=386
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