Butyl (dialkyloxy(dibutoxyphosphoryloxy))titanium(trialkyloxy)titanium phosphate

Hydrolysis

Link to relevant study record(s)

Reference

Endpoint:

hydrolysis

Type of information:

experimental study

Adequacy of study:

key study

Study period:

1 Jun. 2013 - 5 Mar. 2014

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Qualifier:

according to guideline

Guideline:

OECD Guideline 111 (Hydrolysis as a Function of pH)

Version / remarks:

2004

GLP compliance:

yes

Analytical monitoring:

yes

Remarks:

two hydrolytic products – ethanol and 2-propanol – were selected as targets to probe the reaction extent. The targeted hydrolysis products were detected by headspace GC/MS-headspace technique

Details on sampling:

Weigh 0.015 g sample into 20 mL headspace vial. Reduce exposure to air when transferring the sample. After adding 1 mL of regent, cap the headspace vial immediately and shake rigorously.

Buffers:

HCl solution (pH=4), water (pH=7), NaOH solution (pH=10)

Duration:

60 min

pH:

4

Temp.:

25 °C

Initial conc. measured:

0.75 g/L

Duration:

60 min

pH:

7

Temp.:

25 °C

Initial conc. measured:

0.75 g/L

Duration:

60 min

pH:

10

Temp.:

25 °C

Initial conc. measured:

0.75 g/L

Number of replicates:

not specified

Positive controls:

not specified

Negative controls:

not specified

Preliminary study:

Water was added into the Test Substance to initiate the hydrolysis. 30 minutes after the reaction began, the aliquots of the solution was injected into
GC/MS for composition analysis.

Transformation products:

yes

No.:

#1

No.:

#2

No.:

#3

No.:

#4

No.:

#5

Details on hydrolysis and appearance of transformation product(s):

The solution immediately became cloudy and white precipitation forms when water was added into the Test Substance, indicating the rapid hydrolysis behavior of the Test Substance.

Key result

pH:

4

Temp.:

25 °C

DT50:

ca. 10 min

Type:

not specified

Key result

pH:

7

Temp.:

25 °C

DT50:

ca. 15 min

Type:

not specified

Key result

pH:

10

Temp.:

25 °C

DT50:

ca. 10 min

Type:

not specified

Validity criteria fulfilled:

not specified

Conclusions:

The components in the Test Substance aqueous solution were identified, and two were further confirmed as the hydrolytic products – ethanol and 2-propanol.
The half time of reaction was estimated to be less than 10 minutes under acidic/basic, and less than 15 minutes under neutral condition.

Executive summary:

The hydrolysis behavior of Butyl (dialkyloxy(dibutoxyphosphoryloxy))titanium(trialkyloxy)titanium phosphate (EC

no. 401-100-0, the Test Substance) at 25°C in the normally found environment conditions was observed and determined in the study. By detecting the main degradation substances qualitatively as well as quantitatively, it was safely concluded

that the half-life time at 25°C of the Test Substance was:

pH 4 ≤ 10 min

pH 7 ≤ 15 min.

pH 10 ≤ 10 min.

According to formulation of the Test Substance, the degraded substances could be estimated as inorganic part as titanium and organic part. The observation of inorganic part indicated the hydrolysis behavior of the Test Substance when the diluent became

cloudy. The organic part, identified by GC/MS, contained simple alcohols (ethanol, 2-propanol and 1-butanol), alkyl phosphates and traces of hydrocarbons as impurities. Among the hydrolysis products, ethanol and 2-propanol were chosen for quantification with respect to hydrolysis time.

Description of key information

The half-life time at 25°C of the Test Substance is:

pH 4 ≤ 10 min

pH 7 ≤ 15 min.

pH 10 ≤ 10 min.

Key value for chemical safety assessment

Half-life for hydrolysis:

15 min

at the temperature of:

25 °C