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Environmental fate & pathways

Biodegradation in water and sediment: simulation tests

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Reference
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:
no
Specific details on test material used for the study:
- Name of the test material: 2-isopropyl-5-methylcyclohexanone
- Molecular formula: C10H18O
- Molecular weight: 154.2512 g/mol
- Substance type: Organic
- Physical state: Liquid
Radiolabelling:
not specified
Oxygen conditions:
other: estimated
Inoculum or test system:
not specified
Parameter followed for biodegradation estimation:
test mat. analysis
Compartment:
water
% Recovery:
24.8
Remarks on result:
other: Other details not known
Compartment:
sediment
% Recovery:
0.179
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

Mass Amount

(percent)

Half-Life (hr)

Emissions (kg/hr)

Water

24.8

360

1000

Sediment

0.179

3.24e+003

0

 

Fugacity (atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Water

1.06e-009

551

286

18.4

9.54

Sediment

8.93e-010

0.441

0.0413

0.0147

0.00138
Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of 2-isopropyl-5-methylcyclohexanone 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 2 -isopropyl-5 -methyl cyclohexanone (CAS No.1074 -95 -9). If released in to the environment, 24.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 15 days (360 hrs). The half-life (15 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 test chemical 2 -isopropyl-5 -methylcyclohexanone in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.179%), indicates that 2 -isopropyl-5 -methylcylcohexanone is not persistent in nature.

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 2 -isopropyl-5 -methyl cyclohexanone (CAS No.1074 -95 -9). If released in to the environment, 24.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 15 days (360 hrs). The half-life (15 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 test chemical 2 -isopropyl-5 -methylcyclohexanone in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.179%), indicates that 2 -isopropyl-5 -methylcylcohexanone is not persistent in nature.

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 2 -isopropyl-5 -methyl cyclohexanone (CAS No.1074 -95 -9). If released in to the environment, 24.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 15 days (360 hrs). The half-life (15 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 test chemical 2 -isopropyl-5 -methylcyclohexanone in sediment is estimated to be 135 days (3240 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.179%), indicates that 2 -isopropyl-5 -methylcylcohexanone is not persistent in nature.