Registration Dossier
Registration Dossier
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EC number: 212-485-8 | CAS number: 822-06-0
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Remarks:
- adsorption
- Type of information:
- (Q)SAR
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- A QPRM was elaborated verifying the two procedures of Epwin:
1. logKow method
2. MCI method - Principles of method if other than guideline:
- KOCWIN estimates Log Koc with two separate estimation methodologies:
(1) Estimation using first-order Molecular Connectivity Index (MCI) and
(2) Estimation using Log Kow (octanol-water partition coefficient). - GLP compliance:
- no
- Type of method:
- other: estimation
- Media:
- soil
- Radiolabelling:
- no
- Type:
- Koc
- Value:
- > 598 - < 4 818
- Remarks on result:
- other: Temprature and pH not applicable
- Executive summary:
"HDI" is characterized by a Koc of 4818 being calculated with PCKOCWIN v. 1.66
According to the logKow-method the Koc of 598 accounts for HDI (Currenta, 2018).
Reference
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Description of key information
Hexamethylene diisocyanate (HDI) is characterized by a KOC of 4818 being calculated with PCKOCWIN v. 1.66. According to the logKow-method the KOC of 598 accounts for hexamethylene diisocyanate (HDI) (Currenta, 2018). As hexamethylene diisocyanate (HDI) hydrolyses rapidly, the BCF of the hydrolysis product was calculated, too. The hydrolysis product of hexamethylene diisocyanate (HDI) is characterized by a KOC of 286 being calculated with PCKOCWIN v. 1.66 (Currenta, 2009). According to the method of Gerstl (1990) the KOC of 5 accounts for HDA (CAS 124-09-4) (Currenta, 2009f).
Key value for chemical safety assessment
- Koc at 20 °C:
- 598
Additional information
The lower of the both results was used as this represents the worst case when EPM is applied.
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