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Diss Factsheets

Environmental fate & pathways

Biodegradation in soil

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
biodegradation in soil: 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 level III by EPI Suite v 4.1 estimation database
GLP compliance:
not specified
Test type:
other: estimation
Specific details on test material used for the study:
- IUPAC name: 3-methylbutyl benzoate
- Molecular formula: C12H16O2
- Molecular weight: 192.256 g/mol
- Smiles notation: c1(C(OCCC(C)C)=O)ccccc1
- InChl: 1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
- Substance type: Organic
- Physical state: Liquid
Radiolabelling:
not specified
Oxygen conditions:
other: estimated
Soil classification:
not specified
Parameter followed for biodegradation estimation:
test mat. analysis
Soil No.:
#1
% Recovery:
74.6
Remarks on result:
other: Other details not known
Key result
Soil No.:
#1
% Degr.:
50
Parameter:
other: Half-life
Sampling time:
30 d
Remarks on result:
other: Other details not known
Key result
Soil No.:
#1
DT50:
30 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)

Emission (kg/hr)

Soil

74.6

720

1000

 

Fugacity(atm)

Reaction (kg/hr)

Advection (kg/hr)

Reaction (percent)

Advection (percent)

Soil

1.57e-009

960

0

32

0

Conclusions:
Biodegradation half-life of test substance 3-methylbutyl benzoate in soil was estimated to be 30 days (720 hrs).
Executive summary:

The half-life period of test chemical 3-methylbutyl benzoate (CAS No. 94 -46 -2) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 74.6% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 3-methylbutyl benzoate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of 3-methylbutyl benzoate, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Description of key information

The half-life period of test chemical 3-methylbutyl benzoate (CAS No. 94 -46 -2) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 74.6% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 3-methylbutyl benzoate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of 3-methylbutyl benzoate, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Key value for chemical safety assessment

Half-life in soil:
30 d
at the temperature of:
25 °C

Additional information

The half-life period of test chemical 3-methylbutyl benzoate (CAS No. 94 -46 -2) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 74.6% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of 3-methylbutyl benzoate in soil is estimated to be 30 days (720 hrs). Based on this half-life value of 3-methylbutyl benzoate, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.