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Environmental fate & pathways

Biodegradation in water and sediment: simulation tests

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Reference
Endpoint:
biodegradation in water: sediment simulation testing
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from computational model developed by USEPA
Qualifier:
according to guideline
Guideline:
other: Modeling database
Principles of method if other than guideline:
Fugacity Model by EPI Suite estimation database
GLP compliance:
not specified
Specific details on test material used for the study:
CAS number: 877-24-7
EC number: 212-889-4
- Name of test material (as cited in study report): 1,2-Benzenedicarboxylic acid, monopotassium salt
- Molecular formula (if other than submission substance): C8H6O4.K
- Molecular weight (if other than submission substance): 204.221 g/mol
- Smiles notation (if other than submission substance): c1(c(cccc1)C(=O)[O-])C(O)=O.[K+]
- InChI:1S/C8H6O4.K/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H,9,10)(H,11,12);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid
Radiolabelling:
not specified
Oxygen conditions:
other: estimation
Inoculum or test system:
not specified
Parameter followed for biodegradation estimation:
test mat. analysis
Compartment:
water
% Recovery:
20
Compartment:
sediment
% Recovery:
0.102
Key result
% Degr.:
50
Parameter:
other: Half-life in water
Sampling time:
15 d
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in sediment
Sampling time:
135 d
Remarks on result:
other: Other details not known
Key result
Compartment:
water
DT50:
15 d
Type:
other: estimated data
Temp.:
25 °C
Remarks on result:
other: Other details not known
Key result
Compartment:
sediment
DT50:
135 d
Type:
other: estimated data
Temp.:
25 °C
Remarks on result:
other: Other details not known
Transformation products:
not specified

Mass Amount

(percent)

Half-Life (hr)

Emissions (kg/hr)

Water

20

360

1000

Sediment

0.102

3.24e+003

0

 

Fugacity (atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Water

2.73e-023

854

443

28.5

14.8

Sediment

2.37e-023

0.485

0.0453

0.0162

0.00151

Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of 1,2-Benzenedicarboxylic acid, monopotassium salt in water was 15 days (360 h) and in sediment estimated to be 135 days (3240 h).
Executive summary:

Estimation Programs Interface (EPI) Suite (2017) prediction model was run to predict the half-life in water and sediment for the test compound 1,2-Benzenedicarboxylic acid, monopotassium salt (CAS No. 877 -24 -7). If released in to the environment, 20% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 1,2-Benzenedicarboxylic acid, monopotassium salt in water is estimated to be 15 days (360hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of 1,2-Benzenedicarboxylic acid, monopotassium salt in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of the chemical into the sediment is less than 1% (i.e, reported as 0.102%), indicates that 1,2-Benzenedicarboxylic acid, monopotassium salt is not persistent in nature.

Description of key information

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 1,2-Benzenedicarboxylic acid, monopotassium salt (CAS No. 877 -24 -7). If released in to the environment, 20% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 1,2-Benzenedicarboxylic acid, monopotassium salt in water is estimated to be 15 days (360hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of 1,2-Benzenedicarboxylic acid, monopotassium salt in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of the chemical into the sediment is less than 1% (i.e, reported as 0.102%), indicates that 1,2-Benzenedicarboxylic acid, monopotassium salt is not persistent in nature.

Key value for chemical safety assessment

Half-life in freshwater:
15 d
at the temperature of:
25 °C
Half-life in freshwater sediment:
135 d
at the temperature of:
25 °C

Additional information

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 1,2-Benzenedicarboxylic acid, monopotassium salt (CAS No. 877 -24 -7). If released in to the environment, 20% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 1,2-Benzenedicarboxylic acid, monopotassium salt in water is estimated to be 15 days (360hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of 1,2-Benzenedicarboxylic acid, monopotassium salt in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of the chemical into the sediment is less than 1% (i.e, reported as 0.102%), indicates that 1,2-Benzenedicarboxylic acid, monopotassium salt is not persistent in nature.

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