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EC number: 211-279-5 | CAS number: 637-12-7
Biodegradation in water and sediment: simulation tests
Administrative data
Link to relevant study record(s)
- 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:
- - Name of test material (as cited in study report): aluminum trioctadecanoate- Molecular formula (if other than submission substance): C18H36O2.1/3Al- Molecular weight (if other than submission substance): 877.3995 g/mol- Smiles notation (if other than submission substance): 1S/3C18H36O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);/q;;;+3/p-3-InChI: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Al+3]- Substance type: Organic
- Oxygen conditions:
- other: estimation
- Inoculum or test system:
- not specified
- Parameter followed for biodegradation estimation:
- test mat. analysis
- Compartment:
- water
- % Recovery:
- 12.8
- Remarks on result:
- other: Other details not known
- Compartment:
- sediment
- % Recovery:
- 0
- Remarks on result:
- other: Other details not known
- Key result
- % Degr.:
- 50
- Parameter:
- other: Half-life in water
- Sampling time:
- 60 d
- Remarks on result:
- other: Other details not known
- Key result
- % Degr.:
- 50
- Parameter:
- other: Half-life in sediment
- Sampling time:
- 541.66 d
- Remarks on result:
- other: Other details not known
- Key result
- Compartment:
- water
- DT50:
- 60 d
- Type:
- other: estimated data
- Temp.:
- 25 °C
- Remarks on result:
- other: Other details not known
- Key result
- Compartment:
- sediment
- DT50:
- 541.66 d
- Type:
- other: estimated data
- 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 test chemical aluminum trioctadecanoate in water was 60 days (1440 h) and in sediment estimated to be 541.66 days (13000 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 aluminum trioctadecanoate (CAS No. 637 -12 -7). If released in to the environment, 12.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of aluminum trioctadecanoate in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of aluminum trioctadecanoate in sediment is estimated to be 541.66 days (13000 hrs). However, as the percentage release of test chemical aluminum trioctadecanoatei into the sediment is less than 1% (i.e, reported as 0.00000000418%), indicating that the chemical aluminum trioctadecanoate is not persistent in sediment.
Reference
Mass Amount (percent) | Half-Life (hr) | Emissions (kg/hr) | |
Water | 12.8 | 1.44e+003 | 1000 |
Sediment | 4.18e-009 | 1.3e+004 | 0 |
Fugacity (atm) | Reaction (kg/hr) | Advection (kg/hr) | Reaction (percent) | Advection (percent) | |
Water | 2.12e-020 | 330 | 685 | 11 | 22.8 |
Sediment | 3.54e-020 | 1.2e-008 | 4.49e-009 | 4e-010 | 1.5e-010 |
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 aluminum trioctadecanoate (CAS No. 637 -12 -7). If released in to the environment, 12.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of aluminum trioctadecanoate in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of aluminum trioctadecanoate in sediment is estimated to be 541.66 days (13000 hrs). However, as the percentage release of test chemical aluminum trioctadecanoatei into the sediment is less than 1% (i.e, reported as 0.00000000418%), indicating that the chemical aluminum trioctadecanoate is not persistent in sediment.
Key value for chemical safety assessment
- Half-life in freshwater:
- 60 d
- at the temperature of:
- 25 °C
- Half-life in freshwater sediment:
- 541.66 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 aluminum trioctadecanoate (CAS No. 637 -12 -7). If released in to the environment, 12.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of aluminum trioctadecanoate in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is moderate to high whereas the half-life period of aluminum trioctadecanoate in sediment is estimated to be 541.66 days (13000 hrs). However, as the percentage release of test chemical aluminum trioctadecanoatei into the sediment is less than 1% (i.e, reported as 0.00000000418%), indicating that the chemical aluminum trioctadecanoate is not persistent in sediment.
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