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Administrative data

Link to relevant study record(s)

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
Reference:
Composition 0
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
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material (as cited in study report): Benzyl phenylacetate
- Molecular formula (if other than submission substance): C15H14O2
- Molecular weight (if other than submission substance): 226.2736 g/mol
- Smiles notation (if other than submission substance):c1(CC(OCc2ccccc2)=O)ccccc1
- InChI:1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2
- 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:
water
% Recovery:
22.8
Remarks on result:
other: Other details not known
Compartment:
sediment
% Recovery:
3.16
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
Half-life:
15 d
Type:
other: estimated data
Temp.:
25 °C
Remarks on result:
other: Other details not known
Key result
Compartment:
sediment
Half-life:
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

22.8

360

1000

Sediment

3.16

3.24e+003

0

 

Fugacity (atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Water

8.6e-012

662

344

22.1

11.5

Sediment

5.53e-012

10.2

0.954

0.34

0.0318

Validity criteria fulfilled:
not specified
Conclusions:
Estimated half life of Benzyl phenylacetate 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 Benzyl phenylacetate (CAS No. 102 -16 -9). If released in to the environment, 22.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Benzyl phenylacetate 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 Benzyl phenylacetate in sediment is estimated to be 135 days (3240 hrs). Based on this half-life value, it indicates that Benzyl phenylacetate is 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 Benzyl phenylacetate (CAS No. 102 -16 -9). If released in to the environment, 22.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Benzyl phenylacetate 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 Benzyl phenylacetate in sediment is estimated to be 135 days (3240 hrs). Based on this half-life value, it indicates that Benzyl phenylacetate is persistent in sediment.

Key value for chemical safety assessment

Half-life in water:
15 d
at the temperature of:
25 °C
Half-life in 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 Benzyl phenylacetate (CAS No. 102 -16 -9). If released in to the environment, 22.8% of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of Benzyl phenylacetate 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 Benzyl phenylacetate in sediment is estimated to be 135 days (3240 hrs). Based on this half-life value, it indicates that Benzyl phenylacetate is persistent in sediment.