Tetrakis(2-ethylhexane-1,3-diolato)titanium

Partition coefficient

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

partition coefficient

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: see 'Remark'

Remarks:

Comparable to guideline study with acceptable restrictions (e.g. non-GLP) Read-across justification: There is a mechanistic reasoning to the read-across. The substance is hydrolytically unstable. When it comes in contact with water or moisture complete hydrolysis will take place with no significant reaction products other than the particular alcohol and hydrated titanium dioxide. This rapid hydrolysis (hydrolysis half-life <3 minutes to < 2 hours) is the driving force for the fate and pathways of the substance. Because of rapid hydrolysis some physicochemical properties (water solubility and octanol-water partition coefficient) are not technically feasible to be tested for the target substance. Additionally, because of the reactivity vapour pressure determination was not technically feasible for the target substance. However, as these are relevant properties in exposure assessment, read-across from the physicochemical properties of degradation products are used as key values in the CSA. As target substances will react during the use applications forming other substances and releasing alcohols, the physicochemical properties of the degradation products (alcohols) are used as a key value in the exposure assessment.

Justification for type of information:

See read across justification in section 13

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Type:

log Pow

Partition coefficient:

2.9

Temp.:

25 °C

pH:

7

Remarks on result:

other: Water grade 1 with 0.01 mS/m conductivity, similiar to pH7, measured was pH 5.9, but weak reliability due to the low ion strength of the water

Read-across justifications and data matrices are presented in IUCLID section 13.

Conclusions:

Log Kow of 2-ethylhexan-1-ol is 2.9. Study was conducted according OECD guideline 117 by using HPLC method.

Executive summary:

As the target substance is hydrolytically unstable, the vapour pressure of 2-ethylhexanol released from the substance during decomposition is used as a key value in CSA.

Reference 2

Endpoint:

partition coefficient

Data waiving:

study technically not feasible

Justification for data waiving:

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

Description of key information

Testing is not technically feasible as substance is hydrolytically unstable. Log Kow of 2-ethylhexanol is provided instead of any estimated value since the low reliability of the QSAR prediction.

Key value for chemical safety assessment

Log Kow (Log Pow):

2.9

at the temperature of:

25 °C

Additional information

The target substance is hydrolytically unstable. When it comes in contact with water or moisture, a complete hydrolysis will take place with no significant reaction products other than 2 -ethylhexanol (2-EH) and hydrated titanium dioxide. Because of rapid hydrolysis, log Kow of 2 -EH released in water is used as a key value in CSA. This experimental value is determined by using the HPLC method (OECD 117).