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REACH

2,4,8,10-tetra(tert-butyl)-6-hydoroxy-12H-dibenzo[d,g] [1,3,2]dioxaphosphocin, 6-oxide

EC number: 829-608-1 | CAS number: 106396-29-6

Life Cycle description
Uses advised against

Environmental fate & pathways

Adsorption / desorption

Currently viewing:

Administrative data

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption: screening

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 2018-06-16 to 2018-07-02

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 106 (Adsorption - Desorption Using a Batch Equilibrium Method)

Version / remarks:

2000

Deviations:

GLP compliance:

yes (incl. QA statement)

Type of method:

batch equilibrium method

Media:

soil

Specific details on test material used for the study:

Purity: > 99%
Batch No.: 102Z4

Radiolabelling:

Test temperature:

20 -25 °C

Analytical monitoring:

yes

Details on sampling:

Determination of adsorption equilibration time and Desorption kinetics
- Concentrations: 1.5 mg/L
- Sampling interval: after 2, 4, 6, 16 and 24 h contact time

Matrix type:

other: Black soil

% Clay:

33.4

% Silt:

25.9

% Sand:

40.7

% Org. carbon:

1.16

pH:

6.54

CEC:

28.2 other: cmol/kg

Matrix type:

other: Red soil

% Clay:

44.5

% Silt:

14.3

% Sand:

41.2

% Org. carbon:

0.57

pH:

5.02

CEC:

12.7 other: cmol/kg

Matrix type:

other: Paddy soil

% Clay:

18.1

% Silt:

17.1

% Sand:

64.8

% Org. carbon:

1.14

pH:

6.88

CEC:

6.8 other: cmol/kg

Matrix type:

other: Moisture soil

% Clay:

19.9

% Silt:

17.9

% Sand:

62.2

% Org. carbon:

0.38

pH:

7.82

CEC:

1.9 other: cmol/kg

Matrix type:

other: Brown soil

% Clay:

16.5

% Silt:

42.8

% Sand:

40.7

% Org. carbon:

1.19

pH:

5.47

CEC:

7.3 other: cmol/kg

Details on matrix:

- Geographic location:
Fu zhou City, Fu jian Province (Red soil)
Sui hua City, Hei long jiang Province (Black soil)
Huai an City, Jiang su Province (Paddy soil)
He ze City, Shan dong Province (Moisture soil)
Shen yang City, Liao ning Province (Brown soil)

PROPERTIES
- % sand:
1.4% crude sand and 39.3% thin sand (Black soil)
20.0% crude sand and 21.2% thin sand (Red soil)
0.9% crude sand and 63.9% thin sand (Paddy soil)
0.4% crude sand and 61.8% thin sand (Moisture soil)
0.8% crude sand and 39.9% thin sand (Brown soil)
- Soil microbial biomass (mg/kg): 360.24 (Black soil); 308.99 (Red soil); 805.86 (Paddy soil); 75.85 (Moisture soil); 267.41 (Brown soil)

Details on test conditions:

TEST SYSTEM
- Soil and 0.01 mol/L Calcium chloride aqueous solution
- Test temperature: 20 – 25 °C and keep in dark place
- Centrifugal condition: 5000 r/min for 3 minutes
- Measuring equipment: HPLC system (Shimadza LC 20 AD); Mass spectrometer (AB Sciex API 4000 Q Trap)
- Amount of soil: 1 g
- Soil to CaCl2 ratio: 1:2; 1:10; 1:100 (in the preliminary test)
- Method of preparation of test solution
- Determination of soil to CaCl2 solution ratio: The air-dried soils were weighed and 0.01 M CaCl2 solution was be added in polypropylene centrifuge tube (250 mL). The soil to CaCl2 solution ratios was 1:2 (5 g soil and 10 mL 0.01 M CaCl2), 1:10 (1 g soil and 10 mL 0.01 M CaCl2) and 1:100 (1 g soil and 100 mL 0.01 M CaCl2). After being sealed, the polypropylene centrifuge tube was put into a shaking incubator where the temperature is kept at 20 – 25 °C
Blanks was included for each of the five soils with only 0.01 M CaCl2 solution (no test item) and two controls of the test item solution with no soil.
- Determination of adsorption equilibration time: Five typical soils were weighed out and 0.01 M CaCl2 solution was added in a polypropylene centrifuge tube (250 mL) (10 mL of Red soil, Black soil, Moisture soil, Brown soil and 100 mL of Paddy soil). After being sealed the polypropylene centrifuge tubes were stored on a shaking incubator.
The preparation of test solution in adsorption isotherms/desorption isotherms test were the same as determination of adsorption equilibration time

Computational methods:

- Adsorption and desorption coefficients (Kd):
- Freundlich adsorption and desorption coefficients:
- Freundlich adsorption coefficient (Kf) is calculated with Freundlich adsorption isotherms equation: lgCs=1/n . lgCe + lgKf (the liner form)
- Freundlich desorption coefficient (lgKf 'des) is calculated with Freundlich desorption isotherms equation: lgCs.des= lgKf 'des + 1/n . lgCaq 'des (the liner form)
- Adsorption coefficient per organic carbon (Koc): Koc=100Kd/OC (OC: the content of organic carbon, %)

Key result

Type:

Value:

51.69

Matrix:

Red soil

% Org. carbon:

0.57

Remarks on result:

other: pH and temperature unknown

Key result

Type:

Koc

Value:

9 069

Matrix:

Red soil

% Org. carbon:

0.57

Remarks on result:

other: pH and temperature unknown

Key result

Type:

Value:

37.48

Matrix:

Blcak soil

% Org. carbon:

1.16

Remarks on result:

other: pH and temperature unknown

Key result

Type:

Koc

Value:

3 231

Matrix:

Blcak soil

% Org. carbon:

1.16

Remarks on result:

other: pH and temperature unknown

Key result

Type:

Value:

58.55

Matrix:

Paddy soil

% Org. carbon:

1.14

Remarks on result:

other: pH and temperature unknown

Key result

Type:

Koc

Value:

5 136

Matrix:

Paddy soil

% Org. carbon:

1.14

Remarks on result:

other: pH and temperature unknown

Key result

Type:

Value:

15.3

Matrix:

Moisture soil

% Org. carbon:

0.38

Remarks on result:

other: pH and temperature unknown

Key result

Type:

Koc

Value:

4 027

Matrix:

Moisture soil

% Org. carbon:

0.38

Remarks on result:

other: pH and temperature unknown

Key result

Type:

Value:

20.53

Matrix:

Brown soil

% Org. carbon:

1.19

Remarks on result:

other: pH and temperature unknown

Key result

Type:

Koc

Value:

1 725

Matrix:

Brown soil

% Org. carbon:

1.19

Remarks on result:

other: pH and temperature unknown

Recovery of test material:

The average recovery of test item on red soil, black soil, paddy soil, moisture soil and brown soil were 90.0%, 86.3%, 81.3%, 85.6% and 80.8% and the variable coefficient was 6.1%, 2.8%, 7.6%, 8.0% and 4.8% with the concentration of 0.1 mg/kg; the average recovery of test item on red soil, black soil, paddy soil, moisture soil and brown soil were 94.1%, 92.4%, 93.8%, 93.3% and 84.7% and the variable coefficient was 4.2%, 3.1%, 5.1%, 2.7% and 3.8% with the concentration of 300 mg/kg.

Concentration of test substance at end of adsorption equilibration period:

Red soil: 0.0283 and 0.0275 mg/L
Black soil: 0.0435 and 0.0463 mg/L
Paddy soil: 0.490 and 0.485 mg/L
Moisture soil: 0.0611 and 0.0611 mg/L
Brown soil: 0.0503 and 0.0485 mg/L

Concentration of test substance at end of desorption equilibration period:

Red soil: 0.0301 and 0.0229 mg/L
Black soil: 0.0266 and 0.0326 mg/L
Paddy soil: 0.208 and 0.181 mg/L
Moisture soil: 0.0489 and 0.0497 mg/L
Brown soil: 0.0510 and 0.0464 mg/L

Duration:

24 h

% Adsorption:

Remarks on result:

other: Red soil

Duration:

24 h

% Adsorption:

79.2

Remarks on result:

other: Black soil

Duration:

24 h

% Adsorption:

44.4

Remarks on result:

other: Paddy soil

Duration:

24 h

% Adsorption:

72.1

Remarks on result:

other: Moisture soil

Duration:

24 h

% Adsorption:

77.3

Remarks on result:

other: Brown soil

Duration:

24 h

% Desorption:

12.9

Remarks on result:

other: Red soil

Duration:

24 h

% Desorption:

Remarks on result:

other: Black soil

Duration:

24 h

% Desorption:

48.1

Remarks on result:

other: Paddy soil

Duration:

24 h

% Desorption:

32.3

Remarks on result:

other: Moisture soil

Duration:

24 h

% Desorption:

29.7

Remarks on result:

other: Brown soil

Transformation products:

not specified

Details on results (Batch equilibrium method):

PRELIMINARY TEST
- Sample purity: > 99%
- Weighed soil: 1 g, 5 g
- Volume of CaCl2 solution: 10 mL, 100 mL
- Test substance concentration in final solution: 1.5 mg/L

MAIN TEST: PERFORMANCE
- Experimental conditions maintained throughout the study: Yes

The adsorption ratios were from 20.8% - 97.4% when the soil/ solution ratios were 1:2, 1:10 and 1:100 with the normal concentration of 1.5mg/L on five typical soil. The soil/ solution ratios were 1:10 on red soil, black soil, moisture soil and brown soil. The soil/ solution ratio was 1:100 on paddy soil. The adsorption ratios were above 20% and met the requirements.
The initial concentration was 1.5mg/L and the soil solution ratios were 1:10 on four typical soils (Black soil, Red soil and paddy soil). The soil/ solution ratios were 1:100 on paddy soil. The test substance in aqueous phase was analyzed at 0, 2, 4, 6, 16 and 24 h Contact time. The curve was made according to the concentration and time. The adsorption ratio was from 44.4% to 87.0% at 24 h. The desorption ratio was from 12.9% to 48.1% at 24 h. The adsorption and desorption equilibration times of 24 h were selected.
The recovery of mass balance was from 102.1% 110.7% when the soil/ solution ratios were 1:10 on four typical soil (red soil, black soil, moisture soil and brown soil). The recovery of mass balance was 94.5% on paddy soil when the soil/ solution ratio was 1:100.
The result showed that the adsorption isotherms of test item were as follows:
Red soil: logCs'ads=2.4008logCaq'ads + 3.6678 (R2=0.9912, KF'ads=4653.7, n=0 .4165);
Black soil: logCs'ads= 1.2259logCaq'ads + 2.3971 (R2 =0.9270, KF'ads=249.4, n=0.8157);
Paddy soil: logCs'ads=0.7214logCaq'ads + 1.8169 (R2=0.9383, KF'ads=65.6, n=1.3308);
Moisture soil: logCs'ads=0.8954logCaq'ads + 1.1394 (R2=0.8539, KF'ads=13.8, n= 1.1168);
Brown soil: logCs'ads= 1.0316logCaq'ads +1.426 (R2 =0.9567, KF'ads=26.7, n=0.9694)
The result of the desorption isotherms of test item was as follows:
Red soil: logCs'des =1.2780logCaq'des +2.0100 (R2=0.9183, KF'des=102.3, n=0.7825);
Black soil: logCs'des=1.1207logCaq'des +1.8000 (R2=0.8866, KF'des=63.1, n=0.8923);
Paddy soil: logCs'des=0.7625logCaq'des +2.1496 (R2=0.9540, KF'des=141.1, n= 1.3115);
Moisture soil: logCs'des=1.1919logCaq'des +1.5159(R =0.8547, KF'des=32.8, n=0.8390);
Brown soil: logCs'des=1.2512logCaq'des +1.6553 (R2=0.9652, KF'des=45.2, n=0. 7992)

Recovery result
- Recovery of aqueous sample: the average recovery of test item was 98.9%, 94.1%, 86.6% and the variable coefficient was 4.0%, 1.9%, 1.7% with the concentration of 0.008, 0.02, 3 mg/L, respectively.
- Recovery of soil: the average recovery of test item on red soil, black soil, paddy soil, moisture soil and brown soil were 90.0%, 86.3%, 81.3%, 85.6% and 80.8% and the variable coefficient was 6.1%, 2.8%, 7.6%, 8.0% and 4.8% with the concentration of 0.1 mg/kg; the average recovery of test item on red soil, black soil, paddy soil, moisture soil and brown soil were 94.1%, 92.4%, 93.8%, 93.3% and 84.7% and the variable coefficient was 4.2%, 3.1%, 5.1%, 2.7% and 3.8% with the concentration of 300 mg/kg.

Validity criteria fulfilled:

yes

Conclusions:

The value of Kd was 51.69 and Koc was 9069 on red soil. The value of was 37.48 and Koc was 3231 on black soil. The value of was 58.55 and Koc was 5136 on paddy soil. The value of Kd was 15.30 and Koc was 4027 on moisture soil. The value of was 20.53 and Koc was 1725 on brown soil.

Executive summary:

The adsorption-desorption behavior of test item (Purity >99%) on soil was assessed according to the guideline of OECD Guideline for the Testing of Chemicals. No.106: Adsorption/desorption Using a Batch Equilibrium Method.(2000).

Five typical soils of significantly in cation exchange capacity, clay content, organic matter content, and pH value were used in the test. The adsorption ratios were from 20.8% - 97.4% when the soil/ solution ratios were 1:2, 1:10 and 1:100 with the normal concentration of 1.5mg/L on five typical soil. The soil/ solution ratios were 1:10 on red soil, black soil, moisture soil and brown soil. The soil/ solution ratio was 1:100 on paddy soil. The adsorption ratios were above 20% and met the requirements.

The initial concentration was 1.5mg/L and the soil solution ratios were 1:10 on four typical soils (Black soil, Red soil and paddy soil). The soil/ solution ratios were 1:100 on paddy soil. The test substance in aqueous phase was analyzed at 0, 2, 4, 6, 16 and 24 h Contact time. The curve was made according to the concentration and time. The adsorption ratio was from 44.4% to 87.0% at 24 h. The desorption ratio was from 12.9% to 48.1% at 24 h. The adsorption and desorption equilibration times of 24 h were selected.

The recovery of mass balance was from 102.1% 110.7% when the soil/ solution ratios were 1:10 on four typical soil (red soil, black soil, moisture soil and brown soil). The recovery of mass balance was 94.5% on paddy soil when the soil/ solution ratio was 1:100.

The result showed that the adsorption isotherms of test item were as follows:

Red soil: logCs'ads=2.4008logCaq'ads + 3.6678 (R2=0.9912, KF'ads=4653.7, n=0 .4165);

Black soil: logCs'ads= 1.2259logCaq'ads + 2.3971 (R2 =0.9270, KF'ads=249.4, n=0.8157);

Paddy soil: logCs'ads=0.7214logCaq'ads + 1.8169 (R2=0.9383, KF'ads=65.6, n=1.3308);

Moisture soil: logCs'ads=0.8954logCaq'ads + 1.1394 (R2=0.8539, KF'ads=13.8, n= 1.1168);

Brown soil: logCs'ads= 1.0316logCaq'ads +1.426 (R2 =0.9567, KF'ads=26.7, n=0.9694)

The result of the desorption isotherms of test item was as follows:

Red soil: logCs'des =1.2780logCaq'des +2.0100 (R2=0.9183, KF'des=102.3, n=0.7825);

Black soil: logCs'des=1.1207logCaq'des +1.8000 (R2=0.8866, KF'des=63.1, n=0.8923);

Paddy soil: logCs'des=0.7625logCaq'des +2.1496 (R2=0.9540, KF'des=141.1, n= 1.3115);

Moisture soil: logCs'des=1.1919logCaq'des +1.5159(R =0.8547, KF'des=32.8, n=0.8390);

Brown soil: logCs'des=1.2512logCaq'des +1.6553 (R2=0.9652, KF'des=45.2, n=0. 7992)

Description of key information

Key value for chemical safety assessment

Additional information