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Environmental fate & pathways

Biodegradation in water and sediment: simulation tests

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Reference
Endpoint:
biodegradation in water and sediment: simulation tests
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:
- Name of test material (as cited in study report): 2,3-dimethylphenol
- Molecular formula (if other than submission substance): C8H10O
- Molecular weight (if other than submission substance): 122.16 g/mol
- 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:
other: water, material (mass) balance
% Recovery:
25.1
Remarks on result:
other: Other details not known
Compartment:
other: sediment, material (mass) balance
% Recovery:
0.496
Remarks on result:
other: Other details not known
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: estimation
Temp.:
25 °C
Remarks on result:
other: Other details not known
Key result
Compartment:
sediment
DT50:
135 d
Type:
other: estimation
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

25.1

360

1000

Sediment

0.496

3.24e+003

0

 

 

Fugacity

(atm)

Reaction

(kg/hr)

Advection

 (kg/hr)

Reaction

 (percent)

Advection

 (percent)

Water

1.05e-011

617

349

22.4

11.6

Sediment

7.96e-012

1.47

0.138

0.0491

0.00459

Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of 2,3-dimethylphenol 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 2,3-dimethylphenol (CAS No. 526 -75 -0). If released in to the environment, 25.1% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 2,3-dimethylphenol in water is estimated to be 15 days (360 hrs). 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 moderate to low whereas the half-life period of 2,3-dimethylphenol in sediment is estimated to be 135 days (3240 hrs).  However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.496%), indicates that 2,3-dimethylphenol is not persistent in sediment.

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 2,3-dimethylphenol (CAS No. 526 -75 -0). If released in to the environment, 25.1% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 2,3-dimethylphenol in water is estimated to be 15 days (360 hrs). 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 moderate to low whereas the half-life period of 2,3-dimethylphenol in sediment is estimated to be 135 days (3240 hrs).  However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.496%), indicates that 2,3-dimethylphenol is not persistent in sediment.

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 2,3-dimethylphenol (CAS No. 526 -75 -0). If released in to the environment, 25.1% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 2,3-dimethylphenol in water is estimated to be 15 days (360 hrs). 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 moderate to low whereas the half-life period of 2,3-dimethylphenol in sediment is estimated to be 135 days (3240 hrs).  However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.496%), indicates that 2,3-dimethylphenol is not persistent in sediment.