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EC number: 253-455-4 | CAS number: 37310-83-1
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The test for the determination of the Adsorption/Desorption potential as as described in OECD Guideline No. 106 was replaced by a theoretical based evaluation using QSAR model prediction methods, because the reaction product of oleyl alcohol with polyphosphoric acid is highly insoluble in water.
It was concluded, that the UVCB test substance “Reaction product of oleyl alcohol with polyphosphoric acid” is likely sorbed to sediment.
Key value for chemical safety assessment
- Koc at 20 °C:
- 74 000
Additional information
The test for the determination of the Adsorption/Desorption potential as as described in OECD Guideline No. 106 was replaced by a theoretical based evaluation using QSAR model prediction methods, because the reaction product of oleyl alcohol with polyphosphoric acid is highly insoluble in water.
Non-testing data
The use of QSAR model predictions are in particular of relevance and interest when assessing multi-constituent substances for which it may often be difficult to find or even to generate test data on relevant individual constituents (including impurities) due to practical and cost implications.
The Syracuse Research Corporations Estimation programs (EPI Suite - Estimation software) was used for the determination of physico-chemical properties such as log octanol-water partition coefficients and biodegradation parameters.
The soil adsorption coefficient (Koc) of the single components of the UVCB test substance was estimated by means of the program KOCWIN (v2.00) (EPI Suite - Estimation software).The method used for this statement wasthethe first-order molecular connectivity index (MCI) method.
Results and Discussion
The soil adsorption coefficient (Koc)is used as an indicator, if a substance islikely to be sorbed to sediment. In general substances with a soil adsorption coefficient (Koc) smaller than 1000 L/kg are not likely sorbed to sediment (SETAC, 1993). According to this, a log Koc or log Kow of ≥3 is used as a trigger value for sediment effects assessment.
Table 3: Physico-chemicalvaluesof the components of the UVCB “Reaction product of oleyl alcohol with polyphosphoric acid”, part 2
Substance name |
CAS no. |
Log Kow |
Koc (L/kg) |
Kpsediment (L/kg) |
Oleyl phosphate |
37310-83-1 |
7.4 |
7.4 x 104 |
3.8 x 103 |
Oleyl alcohol |
143-28-2 |
7.5 |
1.6 x 104 |
4.12 x 103 |
Organophosphates |
|
≥ 5 |
≥ 2.0 x 103 |
≥ 350 |
Phosphoric acid |
7664-38-2 |
not applicable |
not applicable |
not applicable |
The values for the soil adsorption coefficient (Koc) of the main components oleyl phosphate and oleyl alcoholwere estimated to be higher than1000 L/kg.The values for thelog octanol-water partition coefficient(log Kow) of UVCB test substance “Reaction product of oleyl alcohol with polyphosphoric acid” were estimated to be significantly higher than3. Therefore, it can be said that theUVCB test substance “Reaction product of oleyl alcohol with polyphosphoric acid”is likely sorbed to sediment.
[LogKoc: 4.9]
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