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Environmental fate & pathways

Biodegradation in water and sediment: simulation tests

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Reference
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:
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): butyl 12-acetoxyoctadec-9-enoate
- Molecular formula : C24H44O4
- Molecular weight : 396.6076 g/mol
- Smiles notation : CCCCCC[C@H](C\C=C/CCCCCCCC(=O)OCCCC)OC(=O)C
- InChl : 1S/C24H44O4/c1-4-6-8-15-18-23(28-22(3)25)19-16-13-11-9-10-12-14-17-20-24(26)27-21-7-5-2/h13,16,23H,4-12,14-15,17-21H2,1-3H3/b16-13-/t23-/m1/s1
- Substance type:Organic
- Physical state:Liquid
Oxygen conditions:
other: estimation
Inoculum or test system:
not specified
Parameter followed for biodegradation estimation:
test mat. analysis
Compartment:
water
% Recovery:
24
Remarks on result:
other: Other details not known
Compartment:
sediment
% Recovery:
1.88
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: estimated data
Temp.:
25 °C
Remarks on result:
other: Other details not known
Key result
Compartment:
sediment
DT50:
135 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

Mass Amount

(percent)

Half-Life (hr)

Emissions (kg/hr)

Water

24

360

1000

Sediment

1.88

3.24e+003

0

 

Fugacity (atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Water

1.17e-012

655

340

21.8

11.3

Sediment

7.23e-013

5.71

0.534

0.19

0.0178

Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of test chemical butyl 12-acetoxyoctadec-9-enoate 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 butyl 12-acetoxyoctadec-9-enoate (CAS No.140 -04 -5). If released in to the environment, 24% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of butyl 12-acetoxyoctadec-9-enoate in water is estimated to be 15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical isnot persistent in waterand the exposure risk to aquatic animals ismoderate to low whereas the half-life period of butyl 12-acetoxyoctadec-9-enoate in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical butyl 12-acetoxyoctadec-9-enoate into the sediment is less than 2% (i.e, reported as 1.88%), indicating that the chemical butyl 12-acetoxyoctadec-9-enoate 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 butyl 12-acetoxyoctadec-9-enoate (CAS No.140 -04 -5). If released in to the environment, 24% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of butyl 12-acetoxyoctadec-9-enoate in water is estimated to be 15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical isnot persistent in waterand the exposure risk to aquatic animals ismoderate to low whereas the half-life period of butyl 12-acetoxyoctadec-9-enoate in sediment is estimated to be 135 days (3240 hrs).However, as the percentage release of test chemical butyl 12-acetoxyoctadec-9-enoate into the sediment is less than 2% (i.e, reported as 1.88%), indicating that the chemical butyl 12-acetoxyoctadec-9-enoate 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 butyl 12-acetoxyoctadec-9-enoate (CAS No.140 -04 -5). If released in to the environment, 24% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of butyl 12-acetoxyoctadec-9-enoate in water is estimated to be 15 days (360 hrs). The half-life (15 days estimated by EPI suite) indicates that the chemical isnot persistent in waterand the exposure risk to aquatic animals ismoderate to low whereas the half-life period of butyl 12-acetoxyoctadec-9-enoate in sediment is estimated to be 135 days (3240 hrs).However, as the percentage release of test chemical butyl 12-acetoxyoctadec-9-enoate into the sediment is less than 2% (i.e, reported as 1.88%), indicating that the chemical butyl 12-acetoxyoctadec-9-enoate is not persistent in sediment.