3-bis(diisopropylamino)phosphanyloxypropanenitrile

Hydrolysis

Administrative data

Endpoint:

hydrolysis

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From June 20th 2018 to August 25th 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 111 (Hydrolysis as a Function of pH)

Version / remarks:

2004

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method C.7 (Degradation: Abiotic Degradation: Hydrolysis as a Function of pH)

Version / remarks:

2008

GLP compliance:

yes (incl. QA statement)

Test material

Test material information

Constituent 1

Reference substance name:

3-({bis[bis(propan-2-yl)amino]phosphanyl}oxy)propanenitrile

EC Number:

600-337-9

Cas Number:

102691-36-1

Molecular formula:

C15H32N3OP

IUPAC Name:

3-({bis[bis(propan-2-yl)amino]phosphanyl}oxy)propanenitrile

Test material form:

liquid

Radiolabelling:

no

Study design

Analytical monitoring:

yes

Duration of test

Duration of test 1

Duration:

1.5 h

pH:

4

Temp.:

20 °C

Initial conc. measured:

16.2 mg/L

Duration of test 2

Duration:

213 h

pH:

7

Temp.:

20 °C

Initial conc. measured:

19.5 mg/L

Duration of test 3

Duration:

7 h

pH:

9

Temp.:

20

Initial conc. measured:

19.5 mg/L

Duration of test 4

Duration:

21 h

pH:

7

Temp.:

20 °C

Initial conc. measured:

20 mg/L

Remarks:

undr non GLP conditions, the pH 7 Buffer for environmental testing was also assessed ( used for Daphnia studies)

Number of replicates:

2

Results and discussion

Transformation products:

yes

Remarks:

identification performed in a dedicated study under non GLP conditions

Identity of transformation products

Identity of transformation products 1

No.:

#1

Reference

Reference substance name:

Unnamed

IUPAC name:

N-isopropylpropan-2-amine

Inventory number:

InventoryMultipleMappingImpl [inventoryEntryValue=EC 203-558-5]

CAS number:

108-18-9

Identity:

2-Propanamine, N-(1-methylethyl)-

Molecular formula:

C6H15N

Molecular weight:

101.19

SMILES notation:

CC(C)NC(C)C

InChl:

InChI=1/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3

Identity of transformation products 2

No.:

#2

Reference

Reference substance name:

Unnamed

IUPAC name:

3-hydroxypropanenitrile

Inventory number:

InventoryMultipleMappingImpl [inventoryEntryValue=EC 203-704-8]

CAS number:

109-78-4

Identity:

Hydracrylonitrile

Identity:

Propanenitrile, 3-hydroxy-

Molecular formula:

C3H5NO

Molecular weight:

71.078

SMILES notation:

OCCC#N

InChl:

InChI=1/C3H5NO/c4-2-1-3-5/h5H,1,3H2

Dissipation DT50 of parent compound

Dissipation DT50 of parent compound 1

pH:

4

Temp.:

25 °C

Hydrolysis rate constant:

1.396 h-1

DT50:

0.497 h

Dissipation DT50 of parent compound 2

pH:

7

Temp.:

25 °C

Hydrolysis rate constant:

0.009 h-1

DT50:

75.7 h

Dissipation DT50 of parent compound 3

pH:

9

Temp.:

25 °C

Hydrolysis rate constant:

0.222 h-1

DT50:

3.12 h

Details on results:

Additional information povided for reconstituted water at pH 7 and the determination of the hydrolysed products was performed, allowing the identification of the two substances diisopropylamine and 3 hydroxypropanenitrile.
Using reconstituted water at pH 7 and after 21 hours, 85.7% of degradation of the test item was observed. The DT50 was estimated under these conditions to be about 9.1 hours

Applicant's summary and conclusion

Validity criteria fulfilled:

yes

Conclusions:

The objective of this study was to define the degradation of 2-CYANOETHYL N,N,N’,N’ TETRAISOPROPYLPHOSPHORODIAMIDITE (commercial name) during a pH dependent hydrolysis.

The results of the abiotic degradation are summarised as following:
At pH 4, the rate constant is equal to 1.396 hour –1 and the half-life period is equal to 0.497 hours at 25.0 °C.
At pH 7, the rate constant is equal to 0.009156 hour –1 and the half-life period is equal to 75.7 hours at 25.0 °C.
At pH 9, the rate constant is equal to 0.2223 hour –1 and the half-life period is equal to 3.12 hours at 25.0 °C.

A complementary non GLP analyses with two different preparations were performed during 21 hours to complete the abiotic degradation at pH 7.

The results are summarised as following:
Using buffer pH 7 solvent at pH 7 and after 21 hours, 16% of degradation of the test item was observed.
Using reconstituted water at pH 7 and after 21 hours, 85.7% of degradation of the test item was observed.

Executive summary:

The objective of this study was to define the degradation of 2-CYANOETHYL N,N,N’,N’ TETRAISOPROPYLPHOSPHORODIAMIDITE (commercial name) during a pH dependent hydrolysis.

The results of the abiotic degradation are summarised as following:

At pH 4, the rate constant is equal to 1.396 hour –1 and the half-life period is equal to 0.497 hours at 25.0 °C.

At pH 7, the rate constant is equal to 0.009156 hour –1 and the half-life period is equal to 75.7 hours at 25.0 °C.

At pH 9, the rate constant is equal to 0.2223 hour –1 and the half-life period is equal to 3.12 hours at 25.0 °C.

A complementary non GLP analyses with two different preparations were performed during 21 hours to complete the abiotic degradation at pH 7.

The results are summarised as following:

Using buffer pH 7 solvent at pH 7 and after 21 hours, 16% of degradation of the test item was observed.

Using reconstituted water at pH 7 and after 21 hours, 85.7% of degradation of the test item was observed.