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EC number: 220-476-5 | CAS number: 2778-96-3
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:
- no
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): Octadecyl stearate
- Molecular formula : C36H72O2
- Molecular weight: 536.963 g/mol
- Smiles notation: C(OCCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCC)=O
- InChI: 1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
- Substance type: Organic - Radiolabelling:
- not specified
- Oxygen conditions:
- other: estimation
- Inoculum or test system:
- not specified
- Parameter followed for biodegradation estimation:
- test mat. analysis
- Compartment:
- sediment
- % Recovery:
- 0.001
- 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:
- sediment
- DT50:
- 337.5 d
- Type:
- other: estimated data
- Temp.:
- 25 °C
- Remarks on result:
- other: Other details not known
- Transformation products:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Estimated half life of Octadecyl stearate 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 sediment for the test compound Octadecyl stearate (CAS No. 2778 -96 -3). Tthe half-life period of Octadecyl stearate in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical Octadecyl stearate into the sediment is less than 1% (i.e, reported as 0.000644%), indicates that Octadecyl stearate is not persistent in sediment.
- Endpoint:
- biodegradation in water: simulation testing on ultimate degradation in surface water
- 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): Octadecyl stearate
- Molecular formula : C36H72O2
- Molecular weight: 536.963 g/mol
- Smiles notation: C(OCCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCC)=O
- InChI: 1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
- Substance type: Organic - Radiolabelling:
- not specified
- Oxygen conditions:
- other: estimation
- Inoculum or test system:
- not specified
- Parameter followed for biodegradation estimation:
- test mat. analysis
- Compartment:
- water
- % Recovery:
- 16
- 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
- Compartment:
- water
- DT50:
- 37.5 d
- Type:
- other: estimated data
- Temp.:
- 25 °C
- Remarks on result:
- other: Other details not known
- Transformation products:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Estimated half life of Octadecyl stearate in water was estimated to be 37.5 days (900 h).
- Executive summary:
Estimation Programs Interface (EPI) Suite (2017) prediction model was run to predict the half-life in water for the test compound Octadecyl stearate (CAS No. 2778 -96 -3). If released in to the environment, 16% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Octadecyl stearate 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.
Referenceopen allclose all
Mass Amount (percent) |
Half-Life (hr) |
Emissions (kg/hr) |
|
Water |
16 |
900 |
1000 |
Sediment |
0.000644 |
8.1e+003 |
0 |
Fugacity (atm) |
Reaction (kg/hr) |
Advection (kg/hr) |
Reaction (percent) |
Advection (percent) |
|
Water |
2.81e-014 |
443 |
576 |
14.8 |
19.2 |
Sediment |
3.49e-014 |
0.00198 |
0.000463 |
6.61e-005 |
1.54e-005 |
Mass Amount (percent) |
Half-Life (hr) |
Emissions (kg/hr) |
|
Water |
16 |
900 |
1000 |
Sediment |
0.000644 |
8.1e+003 |
0 |
Fugacity (atm) |
Reaction (kg/hr) |
Advection (kg/hr) |
Reaction (percent) |
Advection (percent) |
|
Water |
2.81e-014 |
443 |
576 |
14.8 |
19.2 |
Sediment |
3.49e-014 |
0.00198 |
0.000463 |
6.61e-005 |
1.54e-005 |
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
Octadecyl stearate (CAS No. 2778 -96 -3). If released in to the environment, 16% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Octadecyl stearate 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 Octadecyl stearate in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical Octadecyl stearate into the sediment is less than 1% (i.e, reported as 0.000644%), indicates that Octadecyl stearate 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
Octadecyl stearate (CAS No. 2778 -96 -3). If released in to the environment, 16% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Octadecyl stearate 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 Octadecyl stearate in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical Octadecyl stearate into the sediment is less than 1% (i.e, reported as 0.000644%), indicates that Octadecyl stearate is not persistent in sediment.
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