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Environmental fate & pathways

Biodegradation in water and sediment: simulation tests

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Endpoint:
biodegradation in water: sediment simulation testing
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Justification for type of information:
see read across document
Reason / purpose for cross-reference:
read-across source
Specific details on test material used for the study:
- Name of test material: C12LAS; linear alkylbenzene sulfonate; (P&G Sample Code RC-99092-3). The test material was 14C-radiolabeled C12-alkylbenzene sulfonate (uniformly 14C-radiolabeled in ring).
- Substance type: pure active substance
- Physical state: solution in methanol
- Analytical purity: 91.2% active (by HPLC; %LAS)
- Impurities: 0.44% 2P2MC12 Quat (MLAS)
- Composition of test material: 91.2% C10-13-alkylbenzene sulfonate (average alkyl chainlength = 11.6). For details, see Table in "any other information on materials and methods" section below.
- Isomers composition: see Table below
- Purity test date: 4/7/1999
- Lot/batch No.: New England Nuclear lot # 3381-042
- Expiration date of the lot/batch: not available
- Radiochemical purity: >99% (determined by radio-TLC using silica gel plates and a mobile phase of chloroform/methanol/water/formic acid of 80/25/3/1).
- Specific activity: 9.71 mCi/mmol (dissolved in methanol, it was 3.59 mCi/ml)
- Locations of the label: Ring-14C(U)
- Expiration date of radiochemical substance: not provided
- Stability under test conditions: not provided
- Storage condition of test material: not provided
Radiolabelling:
yes
Compartment:
other: sediment, material (mass) balance
% Recovery:
101
St. dev.:
0.3
Key result
% Degr.:
60.8
St. dev.:
0.3
Parameter:
CO2 evolution
Sampling time:
148 d
Remarks on result:
other: Mean of biotic flasks; aerobic
Key result
% Degr.:
14.4
St. dev.:
0.7
Parameter:
other: associated with solids
Sampling time:
148 d
Remarks on result:
other: Mean of biotic flasks; aerobic
Key result
% Degr.:
1.4
St. dev.:
0.6
Parameter:
other: metabolites
Sampling time:
148 d
Remarks on result:
other: Mean of biotic flasks; aerobic
Key result
% Degr.:
24.5
St. dev.:
0.05
Parameter:
other: parent
Sampling time:
148 d
Remarks on result:
other: Mean of biotic flasks; aerobic
Key result
Compartment:
sediment
DT50:
0.4 d
St. dev.:
0.1
Type:
other: two compartment first order model
Remarks on result:
other: Primary biodegradation; aerobic; compartment 1
Key result
Compartment:
sediment
DT50:
99 d
St. dev.:
4.2
Type:
other: two compartment first order model
Remarks on result:
other: Primary biodegradation; aerobic; compartment 2
Key result
Compartment:
sediment
DT50:
11.6 d
St. dev.:
1.5
Type:
other: first order
Remarks on result:
other: Mineralization; aerobic
Other kinetic parameters:
first order rate constant
Transformation products:
yes
No.:
#1
Details on transformation products:
Metabolites were not identified, other than by position on RAD-TLC:
Rf 0.36 parent
Rf 0.57 metabolite
Evaporation of parent compound:
no
Volatile metabolites:
not measured
Residues:
yes
Details on results:
Primary degradation was best described by a two compartment first order model (r2 > 0.99). The process was biphasic with two pools (compartments) of material exhibiting different degradation rates. Pool A (compartment 1) presumably was readily bioavailable test material, in the aqueous phase. Pool B (compartment 2) presumably was less bioavailable test material, bound to solids (sorbed).

Amount in pool A: 42.2%
Amount in pool B: 64.8%

Mineralization (14CO2 production) was best described by a First Order Model (r2 > 0.99), indicating that parent and metabolites were equally bioavailable to undergo mineralization.

Mass balance of abiotic flasks was 110.6% (107.5% parent, 3.0% associated with solids).

Fate of C12-LAS (C12-linear alkylbenzene sulfonate) in Aerobic Sediment: Die-Away Study using Lytle Creek Sediment (study 68316)

Time (days)

Parent (Rf 0.36)

Non-Polar Metabolite (Rf 0.57)

Solids

CO2

Total Recovery

0.01

108.6

1.4

4.0

Not sampled

113.2

1

72.9

5.7

22.9

10.4

108.9

2

69.5

0.0

20.3

20.2

110.0

3

60.9

1.3

23.9

18.8

104.9

6

61.8

4.0

22.8

19.4

106.0

9

64.5

1.7

19.8

21.5

106.7

14

56.7

1.9

18.9

31.9

108.4

33

39.5

1.0

18.6

46.5

105.4

61

26.7

0.7

16.9

53.5

97.8

148

24.5

1.4

14.4

60.8

101.0

 

 

 

 

 

 

Abiotic (n=5)

107.5

ND

3.0

Not analyzed

110.6

% of dosed radioactivity recovered as parent, metabolites, associated with extracted solids, or mineralized to CO2 as a function of time in Lytle Creek aerobic sediment.

Sediment dosed with [14C-U-ring] C12 linear alkylbenzene sulfonate.

Standard deviations are available in the study report.

ND = not detected.

Validity criteria fulfilled:
yes
Conclusions:
C12LAS (linear alkylbenzene sulfonate) was aerobically biodegraded in sediment (Lytle Creek). After 148 days, 60.8% was mineralized, 14.4% was associated with solids, 1.4% was metabolites, and 24.5% remained as parent. The rate constants for primary biodegradation and mineralization were 1.5 day-1 and 0.06 day-1, respectively.
Executive summary:

The biodegradation of C12LAS (linear alkylbenzene sulfonate) in sediment was evaluated in an aerobic die-away study using sediment from Lytle Creek, Wilmington, Ohio. Radiolabeled test material (14C) was used in a test design that was similar to OECD 308 and OECD 314. The test material was added to the sediment at 1.5 mg/Kg dry weight. The die-away study continued for 148 days. The test material was comprised of C10 -C13 alkyl chainlengths with an average chainlength of 11.6.

C12 -LAS was aerobically biodegraded in sediment from Lytle Creek. After 148 days:

60.8% was mineralized,

14.4% was associated with solids,

24.5% remained as parent, and

1.4% was metabolites.

Primary degradation was best described by a two compartment first order model (r2 > 0.99). The process was biphasic with two pools of material exhibiting different degradation rates. Pool A was presumably the more readily bioavailable test material in the aqueous phase. Pool B was presumably the less bioavailable test material bound to solids (sorbed). The rate constants for primary degradation were:

1.5 day-1 (pool A)

0.007 day-1 (pool B)

Mineralization (14CO2 production) was best described by a First Order Model (r2 > 0.99), indicating that parent and metabolites were equally bioavailable to undergo mineralization. The rate constant for mineralization was 0.06 day-1.

Endpoint:
biodegradation in water: sediment simulation testing
Type of information:
read-across from supporting substance (structural analogue or surrogate)
Adequacy of study:
key study
Justification for type of information:
see read across document
Reason / purpose for cross-reference:
read-across source
Specific details on test material used for the study:
- Name of test material: C12LAS; linear alkylbenzene sulfonate; (P&G Sample Code RC-99092-3). The test material was 14C-radiolabeled C12-alkylbenzene sulfonate (uniformly 14C-radiolabeled in ring).
- Substance type: pure active substance
- Physical state: solution in methanol
- Analytical purity: 91.2% active (by HPLC; %LAS)
- Impurities: 0.44% 2P2MC12 Quat (MLAS)
- Composition of test material: 91.2% C10-13-alkylbenzene sulfonate (average alkyl chainlength = 11.6). For details, see Table in "any other information on materials and methods" section below.
- Isomers composition: see Table below
- Purity test date: 4/7/1999
- Lot/batch No.: New England Nuclear lot # 3381-042
- Expiration date of the lot/batch: not available
- Radiochemical purity: >99% (determined by radio-TLC using silica gel plates and a mobile phase of chloroform/methanol/water/formic acid of 80/25/3/1).
- Specific activity: 9.71 mCi/mmol (dissolved in methanol, it was 3.59 mCi/ml)
- Locations of the label: Ring-14C(U)
- Expiration date of radiochemical substance: not provided
- Stability under test conditions: not provided
- Storage condition of test material: not provided
Radiolabelling:
yes
Compartment:
other: sediment, material (mass) balance
% Recovery:
75.8
St. dev.:
2
Key result
% Degr.:
42.1
St. dev.:
2.7
Parameter:
CO2 evolution
Sampling time:
92 d
Remarks on result:
other: Mean of biotic flasks; aerobic; normalized to 100% mass balance.
Key result
% Degr.:
28.5
St. dev.:
3.7
Parameter:
other: associated with solids
Sampling time:
92 d
Remarks on result:
other: Mean of biotic flasks; aerobic; normalized to 100% mass balance.
Key result
% Degr.:
0
Parameter:
other: metabolites
Sampling time:
92 d
Remarks on result:
other: Mean of biotic flasks; aerobic
Key result
% Degr.:
29.8
St. dev.:
6.7
Parameter:
other: parent
Sampling time:
92 d
Remarks on result:
other: Mean of biotic flasks; aerobic; normalized to 100% mass balance.
Key result
Compartment:
sediment
DT50:
1.4 d
St. dev.:
0.2
Type:
other: two compartment first order model
Remarks on result:
other: Primary biodegradation; aerobic; compartment 1
Key result
Compartment:
sediment
DT50:
77 d
St. dev.:
0.001
Type:
other: two compartment first order model
Remarks on result:
other: Primary biodegradation; aerobic; compartment 2
Key result
Compartment:
sediment
DT50:
11.6 d
St. dev.:
1.9
Type:
other: first order
Remarks on result:
other: Mineralization; aerobic
Other kinetic parameters:
first order rate constant
Transformation products:
yes
No.:
#1
No.:
#2
Details on transformation products:
Metabolites were not identified, other than by position on RAD-TLC:
Rf 0.45 parent
Rf 0.70 non-polar metabolite
Rf 0.90 non-polar metabolite
Evaporation of parent compound:
no
Volatile metabolites:
not measured
Residues:
yes
Details on results:
Primary degradation was best described by a two compartment first order model (r2 > 0.99). The process was biphasic with two pools (compartments) of material exhibiting different degradation rates. Pool A (compartment 1) presumably was readily bioavailable test material, in the aqueous phase. Pool B (compartment 2) presumably was less bioavailable test material, bound to solids (sorbed).

Amount in pool A: 49.3%
Amount in pool B: 49.9%

Mineralization (14CO2 production) was best described by a First Order Model (r2 > 0.99), indicating that parent and metabolites were equally bioavailable to undergo mineralization.


Mass balance of abiotic flasks was 105.8% (99.5% parent, 5.5% associated with solids).

Fate of C12-LAS (C12-linear alkylbenzene sulfonate) in Aerobic Sediment: Die-Away Study using Ohio River Sediment (study 68315)

Time (days)

Parent (Rf 0.45)

Non-Polar Metabolite (Rf 0.70)

Non-Polar Metabolite (Rf 0.90)

Solids

CO2

Total Recovery

0.01

91.2

1.4

2.6

6.6

1.2

102.7

1

60.1

0.8

1.6

22.8

5.9

91.2

2

64.8

0.9

2.4

24.6

7.9

100.5

3

60.7

0.9

1.5

24.1

9.0

96.1

7

58.0

0.4

1.3

25.8

10.0

95.5

10

45.6

0.0

0.9

28.7

11.7

86.9

15

31.4

4.7

0.0

23.7

19.1

78.8

36

36.7

0.0

0.0

23.9

27.9

88.4

92

22.6

0.0

0.0

21.6

31.6

75.8

 

 

 

 

 

 

 

Abiotic (n=10)

99.5

ND

ND

5.5

Not analyzed

105.8

% of dosed radioactivity recovered as parent, metabolites, associated with extracted solids, or mineralized to CO2 as a function of time in Ohio River aerobic sediment.

Sediment dosed with [14C-U-ring] C12 linear alkylbenzene sulfonate.

Standard deviations are available in the study report.

ND = not detected.

Biodegradation results in biotic flasks at 92 days were normalized to 100% mass balance as follows:

Mineralization: 31.6% to 42.1%

Solids: 21.5% to 28.5%

Metabolites: 0% to 0%

Parent: 22.6% to 29.8%

Mass Balance: 75.8% to 100%

Validity criteria fulfilled:
yes
Conclusions:
C12LAS (linear alkylbenzene sulfonate) was aerobically biodegraded in sediment (Ohio River). After 92 days, 42.1% was mineralized, 28.5% was associated with solids, 0% was metabolites, and 29.8% remained as parent. The rate constants for primary biodegradation and mineralization were 0.5 day-1 and 0.06 day-1, respectively.
Executive summary:

The biodegradation of C12LAS (linear alkylbenzene sulfonate) in sediment was evaluated in an aerobic die-away study using sediment from the Ohio River, Cincinnati, Ohio. Radiolabeled test material (14C) was used in a test design that was similar to OECD 308 and OECD 314. The test material was added to the sediment at 1.5 mg/Kg dry weight. The die-away study continued for 92 days. The test material was comprised of C10 -C13 alkyl chainlengths with an average chainlength of 11.6.

C12 -LAS was aerobically biodegraded in sediment from the Ohio River. After 92 days (normalized to 100% mass balance):

42.1% was mineralized,

28.5% was associated with solids,

29.8% remained as parent, and

0% was metabolites.

Primary degradation was best described by a two compartment first order model (r2 > 0.99). The process was biphasic with two pools of material exhibiting different degradation rates. Pool A was presumably the more readily bioavailable test material in the aqueous phase. Pool B was presumably the less bioavailable test material bound to solids (sorbed). The rate constants for primary degradation were:

0.5 day-1 (pool A)

0.009 day-1 (pool B)

Mineralization (14CO2 production) was best described by a First Order Model (r2 > 0.99), indicating that parent and metabolites were equally bioavailable to undergo mineralization. The rate constant for mineralization was 0.06 day-1.

Description of key information

The read-across source substance C12LAS (linear alkylbenzene sulfonate) was aerobically biodegraded in sediment (Lytle Creek).

After 148 days, 60.8% was mineralized, 14.4% was associated with solids, 1.4% was metabolites, and 24.5% remained as parent. The rate constants for primary biodegradation and mineralization were 1.5 day-1 and 0.06 day-1, respectively. In a second study, the read-across source substance C12LAS (linear alkylbenzene sulfonate) was aerobically biodegraded in sediment (Ohio River). After 92 days, 42.1% was mineralized, 28.5% was associated with solids, 0% was metabolites, and 29.8% remained as parent. The rate constants for primary biodegradation and mineralization were 0.5 day-1 and 0.06 day-1, respectively.

Key value for chemical safety assessment

Half-life in freshwater sediment:
11.6 d

Additional information

The biodegradation of C12-LAS (read across) in natural sediments was evaluated in two aerobic die-away studies. In the first, radiolabeled LAS was added to sediment from Lytle Creek, Wilmington, Ohio at 1.5 mg/kg dry weight. Primary degradation was best described by a two compartment first order model. The process was biphasic, with two compartments of material exhibiting different degradation rates. The first compartment was presumed to be readily bioavailable test material in the aqueous phase. The second compartment was less bioavailable test material sorbed to solids. Mineralization was best described by a first order model, indicating that parent and metabolites were equally bioavailable to undergo mineralization. After 148 days, 60.8% was mineralized, 14.4% was associated with solids, 1.4% was metabolites, and 24.5% remained as parent LAS. Calculated half-lives (DT50) of the parent LAS were 0.4 days (primary biodegradation, compartment 1), 99 days (primary biodegradation, compartment 2), and 11.6 days (first order aerobic mineralization). Rate constants for primary degradation and mineralization were 1.5 day-1 and 0.06 day-1, respectively. The second die-away study used the same methodology as above but with sediment collected from the Ohio River near Cincinnati, Ohio. Again, primary degradation was best described by a two compartment first order model and the process was biphasic, with two compartments of material exhibiting different degradation rates. After 92 days, 42.1% was mineralized, 28.5% was associated with solids, 0% was metabolites, and 29.8% remained as parent LAS. Calculated half-lives (DT50) of the parent LAS were 1.4 days (primary biodegradation, compartment 1), 77 days (primary biodegradation, compartment 2), and 11.6 days (first order aerobic mineralization). Rate constants for primary degradation and mineralization were 0.5 day-1 and 0.06 day-1, respectively.