Bis(2-ethylhexan-1-olato)bis(pentane-2,4-dionato-O,O')titanium

Partition coefficient

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

partition coefficient

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because the substance decomposes

Justification for type of information:

According to hydrolysis test results, the hydrolysis rate is estimated to be within several minutes. The hydrolysis products have been identified to be 2-ethylhexnol, acetylacetone and titanium dioxide

Reason / purpose for cross-reference:

data waiving: supporting information

Reference 2

Endpoint:

partition coefficient

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

2017

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:

As the target substance is hydrolytically unstable with hydrolysis half-life less than 30 minutes at 30°C, testing is not feasible. According to hydrolysis test results, the hydrolysis products have been identified to be 2-ethylhexnol, pentane-2,4-dione and titanium dioxide. The physical, toxicological and ecotoxicological properties of the organic parts have been well-investigated. Read-across approach from hydrolysis products are used for assess the target substance.
QSAR modelling is used to calculate partition coefficients of the hydrolysis products.

Guideline:

other: QSAR model

GLP compliance:

no

Type of method:

other: QSAR model

Key result

Type:

log Pow

Partition coefficient:

ca. 2.7

Temp.:

20 °C

pH:

ca. 7

Details on results:

Partition coeffiecnts (log value) of 2-ethylhexanol and pentane-2,4-dione are 2.9 and 0.68 respectively.

Conclusions:

Partition coeffiecnts (log value) of 2-ethylhexanol and pentane-2,4-dione are 2.9 and 0.68 respectively. The higher value of 2-ethylhexanol was chosen as the most hazardous situation and used for CSA.

Executive summary:

The hydrolysis products had been identified to be 2-ethylhexnol, acetylacetone and titanium dioxide. 2 -ethylhexanol, which had higher partition coefficient, was chosen for CSA.

Key value for chemical safety assessment

Log Kow (Log Pow):

2.9

at the temperature of:

25 °C

Additional information

As the target substance hydrolyzes rapidly within 30 minutes, the intrinsic properties of the target substance lie on the hydrolysis product. The Log Pow of the 2-ethylhexanol and pentane-2,4-dione were estimated to be 2.9 and 0.68 by QSAR model, respectively. The larger partition coefficient of 2 -ethylhexanol was used for CSA evaluation.