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EC number: 231-323-7 | CAS number: 7492-66-2
Biodegradation in water and sediment: simulation tests
Administrative data
Link to relevant study record(s)
- 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: 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
- 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.
Reference
|
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 |
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.
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