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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:
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: 1,1-diethoxy-3,7-dimethylocta-2,6-diene
- Molecular formula : C14H26O2
- Molecular weight : 226.357
- Smiles notation : C(\C=C(\CC\C=C(/C)C)C)(OCC)OCC
- InChl : 1S/C14H26O2/c1-6-15-14(16-7-2)11-13(5)10-8-9-12(3)4/h9,11,14H,6-8,10H2,1-5H3/b13-11+
- Substance type:Organic
- Physical state: Liquid
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:
15.9
Remarks on result:
other: Other details not known
Compartment:
other: sediment, material (mass) balance
% Recovery:
0.572
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half life in water
Sampling time:
37.5 d
Remarks on result:
other: Other details not known
Key result
% Degr.:
50
Parameter:
other: Half-life in sediment
Sampling time:
337.5 d
Remarks on result:
other: Other details not known
Key result
Compartment:
water
DT50:
37.5 d
Type:
other: estimation
Temp.:
25 °C
Remarks on result:
other: Other details not known
Key result
Compartment:
sediment
DT50:
337.5 d
Type:
other: estimation
Temp.:
25 °C
Remarks on result:
other: Other details not known
Transformation products:
not specified
Evaporation of parent compound:
not specified
Volatile metabolites:
not specified
Residues:
not specified

 

 

Mass Amount

(percent)

Half-Life

(hr)

Emissions

(kg/hr)

Water

15.9

900

1000

Sediment

0.572

8.1e+003

0

 

 

Fugacity

(atm)

Reaction

(kg/hr)

Advection

(kg/hr)

Reaction

(percent)

Advection

(percent)

Water

7.18e-009

204

265

6.81

8.85

Sediment

7.77e-009

0.818

0.191

0.0273

0.00638

 

Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of 1,1-diethoxy-3,7-dimethylocta-2,6-diene in water was 37.5 days (900 h) and in sediment estimated to be 337.5 days (8100 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

1,1 -diethoxy-3,7 - dimethylocta-2,6 -diene (CAS No. 7492 -66 -2). If released in to the environment, 15.9% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 1,1 -diethoxy-3,7 -dimethylocta-2,6 -diene in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 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 1,1 -diethoxy-3,7 -dimethylocta-2,6 -diene in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.572%), indicates that 1,1 -diethoxy-3,7 -dimethylocta-2,6 -diene 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

1,1 -diethoxy-3,7 - dimethylocta-2,6 -diene (CAS No. 7492 -66 -2). If released in to the environment, 15.9% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 1,1 -diethoxy-3,7 -dimethylocta-2,6 -diene in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 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 1,1 -diethoxy-3,7 -dimethylocta-2,6 -diene in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.572%), indicates that 1,1 -diethoxy-3,7 -dimethylocta-2,6 -diene is not persistent

in sediment.

Key value for chemical safety assessment

Half-life in freshwater:
37.5 d
at the temperature of:
25 °C
Half-life in freshwater sediment:
337.5 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

1,1 -diethoxy-3,7 - dimethylocta-2,6 -diene (CAS No. 7492 -66 -2). If released in to the environment, 15.9% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of 1,1 -diethoxy-3,7 -dimethylocta-2,6 -diene in water is estimated to be 37.5 days (900 hrs). The half-life (37.5 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 1,1 -diethoxy-3,7 -dimethylocta-2,6 -diene in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.572%), indicates that 1,1 -diethoxy-3,7 -dimethylocta-2,6 -diene is not persistent

in sediment.